(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine

C9H9F4N — CID 71074659

IUPAC(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H9F4N/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,14H2,1H3/t5-/m0/s1
InChIKeyXTBKFZDHIZYROB-YFKPBYRVSA-N
MW207.17 g/mol
LogP2.86
Rot. Bonds1

About (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine

(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 71074659) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID71074659
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H9F4N/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,14H2,1H3/t5-/m0/s1
InChIKeyXTBKFZDHIZYROB-YFKPBYRVSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171248868
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171226937
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171207363
(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171312446
(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263236

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine (CID 71074659) is (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine is C[C@H](N)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is XTBKFZDHIZYROB-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9F4N/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,14H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 71074659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).