(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine

C11H11F4N — CID 131397243

IUPAC(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
SMILESN[C@H](c1ccc(F)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H11F4N/c12-7-3-4-8(10(16)6-1-2-6)9(5-7)11(13,14)15/h3-6,10H,1-2,16H2/t10-/m0/s1
InChIKeyINJFUDYCJQUKTM-JTQLQIEISA-N
MW233.21 g/mol
LogP3.25
Rot. Bonds2

About (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine

(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 131397243) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
PubChem CID131397243
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
SMILESN[C@H](c1ccc(F)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H11F4N/c12-7-3-4-8(10(16)6-1-2-6)9(5-7)11(13,14)15/h3-6,10H,1-2,16H2/t10-/m0/s1
InChIKeyINJFUDYCJQUKTM-JTQLQIEISA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171227119
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine (CID 131397243) is (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine is N[C@H](c1ccc(F)cc1C(F)(F)F)C1CC1.
What is the InChIKey of (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is INJFUDYCJQUKTM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F4N/c12-7-3-4-8(10(16)6-1-2-6)9(5-7)11(13,14)15/h3-6,10H,1-2,16H2/t10-/m0/s1.
What are the key properties of (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 233.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 131397243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).