1FD

1-[4-(trifluoromethoxy)phenyl]methanamine

Created:	2013-01-15
Last modified:	2013-02-01

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1 entries where 1FD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of 1FD

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Chemical Component Summary
Name	1-[4-(trifluoromethoxy)phenyl]methanamine
Systematic Name (OpenEye OEToolkits)	[4-(trifluoromethyloxy)phenyl]methanamine
Formula	C₈ H₈ F₃ N O
Molecular Weight	191.15
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)Oc1ccc(cc1)CN
SMILES	CACTVS	3.370	NCc1ccc(OC(F)(F)F)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1CN)OC(F)(F)F
Canonical SMILES	CACTVS	3.370	NCc1ccc(OC(F)(F)F)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1CN)OC(F)(F)F
InChI	InChI	1.03	InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKey	InChI	1.03	DBGROTRFYBSUTR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	571846
ChEMBL	CHEMBL216733

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.