(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine

C9H6F7NO — CID 171251766

IUPAC(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
SMILESN[C@@H](c1cc(OC(F)(F)F)ccc1F)C(F)(F)F
InChIInChI=1S/C9H6F7NO/c10-6-2-1-4(18-9(14,15)16)3-5(6)7(17)8(11,12)13/h1-3,7H,17H2/t7-/m0/s1
InChIKeySNTWDUHQUWLQDZ-ZETCQYMHSA-N
MW277.14 g/mol
LogP3.29
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine

(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 171251766) has the molecular formula C9H6F7NO and a molecular weight of 277.14 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
PubChem CID171251766
Molecular FormulaC9H6F7NO
Molecular Weight277.14 g/mol
Exact Mass277.03
IUPAC Name(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
SMILESN[C@@H](c1cc(OC(F)(F)F)ccc1F)C(F)(F)F
InChIInChI=1S/C9H6F7NO/c10-6-2-1-4(18-9(14,15)16)3-5(6)7(17)8(11,12)13/h1-3,7H,17H2/t7-/m0/s1
InChIKeySNTWDUHQUWLQDZ-ZETCQYMHSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312744
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 171242886
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
(2R,3R)-3-amino-1,1,1-trifluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171266107
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 171216225
(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171271754
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 153302415
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
CID 171216263

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine (CID 171251766) is (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine is N[C@@H](c1cc(OC(F)(F)F)ccc1F)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is SNTWDUHQUWLQDZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H6F7NO/c10-6-2-1-4(18-9(14,15)16)3-5(6)7(17)8(11,12)13/h1-3,7H,17H2/t7-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 277.14 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 171251766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).