(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C13H15F4N — CID 171222169

IUPAC(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESN[C@H](c1ccc(F)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C13H15F4N/c14-11-6-5-9(7-10(11)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m0/s1
InChIKeyYXSSVOHRPGXZCJ-LBPRGKRZSA-N
MW261.26 g/mol
LogP4.03
Rot. Bonds2

About (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 171222169) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID171222169
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESN[C@H](c1ccc(F)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C13H15F4N/c14-11-6-5-9(7-10(11)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m0/s1
InChIKeyYXSSVOHRPGXZCJ-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

cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(4,4-dimethylcyclohexyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289028
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
(R)-[3-chloro-4-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171215256
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
CID 171207653
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
CID 107291977
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 171222169) is (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is N[C@H](c1ccc(F)c(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YXSSVOHRPGXZCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15F4N/c14-11-6-5-9(7-10(11)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m0/s1.
What are the key properties of (S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(S)-cyclopentyl-[4-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-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171222169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).