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

C13H15F4N — CID 171227390

IUPAC(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESN[C@H](c1cccc(C(F)(F)F)c1F)C1CCCC1
InChIInChI=1S/C13H15F4N/c14-11-9(12(18)8-4-1-2-5-8)6-3-7-10(11)13(15,16)17/h3,6-8,12H,1-2,4-5,18H2/t12-/m0/s1
InChIKeyLSVGJUSRHCBFRO-LBPRGKRZSA-N
MW261.26 g/mol
LogP4.03
Rot. Bonds2

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

(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 171227390) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID171227390
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESN[C@H](c1cccc(C(F)(F)F)c1F)C1CCCC1
InChIInChI=1S/C13H15F4N/c14-11-9(12(18)8-4-1-2-5-8)6-3-7-10(11)13(15,16)17/h3,6-8,12H,1-2,4-5,18H2/t12-/m0/s1
InChIKeyLSVGJUSRHCBFRO-LBPRGKRZSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171231037
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
[2-cyclobutyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105250370
(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

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 171227390) is (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine is N[C@H](c1cccc(C(F)(F)F)c1F)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LSVGJUSRHCBFRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15F4N/c14-11-9(12(18)8-4-1-2-5-8)6-3-7-10(11)13(15,16)17/h3,6-8,12H,1-2,4-5,18H2/t12-/m0/s1.
What are the key properties of (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 261.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171227390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).