(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C13H16ClF4N — CID 171231037

IUPAC(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(F)c1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H15F4N.ClH/c14-10-7-3-6-9(11(10)13(15,16)17)12(18)8-4-1-2-5-8;/h3,6-8,12H,1-2,4-5,18H2;1H/t12-;/m0./s1
InChIKeyOGLKHIKVIBDDHW-YDALLXLXSA-N
MW297.72 g/mol
LogP4.46
Rot. Bonds2

About (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 171231037) has the molecular formula C13H16ClF4N and a molecular weight of 297.72 g/mol. Its IUPAC name is (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID171231037
Molecular FormulaC13H16ClF4N
Molecular Weight297.72 g/mol
Exact Mass297.09
IUPAC Name(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(F)c1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H15F4N.ClH/c14-10-7-3-6-9(11(10)13(15,16)17)12(18)8-4-1-2-5-8;/h3,6-8,12H,1-2,4-5,18H2;1H/t12-;/m0./s1
InChIKeyOGLKHIKVIBDDHW-YDALLXLXSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171211426
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171172374
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 171231037) is (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1cccc(F)c1C(F)(F)F)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is OGLKHIKVIBDDHW-YDALLXLXSA-N. The full InChI is InChI=1S/C13H15F4N.ClH/c14-10-7-3-6-9(11(10)13(15,16)17)12(18)8-4-1-2-5-8;/h3,6-8,12H,1-2,4-5,18H2;1H/t12-;/m0./s1.
What are the key properties of (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 297.72 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171231037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).