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

C13H15F4NO — CID 171227912

IUPAC(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)c(F)c1)C1CCCC1
InChIInChI=1S/C13H15F4NO/c14-10-7-9(12(18)8-3-1-2-4-8)5-6-11(10)19-13(15,16)17/h5-8,12H,1-4,18H2/t12-/m0/s1
InChIKeyWITZLCLROCHBOM-LBPRGKRZSA-N
MW277.26 g/mol
LogP3.91
Rot. Bonds3

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

(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171227912) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171227912
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)c(F)c1)C1CCCC1
InChIInChI=1S/C13H15F4NO/c14-10-7-9(12(18)8-3-1-2-4-8)5-6-11(10)19-13(15,16)17/h5-8,12H,1-4,18H2/t12-/m0/s1
InChIKeyWITZLCLROCHBOM-LBPRGKRZSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene
CID 118196153
(1S,2R)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol
CID 171263546
(1R,2S)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171269220
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(1S)-2,2,3,3,3-pentafluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171311762
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine (CID 171227912) is (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine is N[C@H](c1ccc(OC(F)(F)F)c(F)c1)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is WITZLCLROCHBOM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-10-7-9(12(18)8-3-1-2-4-8)5-6-11(10)19-13(15,16)17/h5-8,12H,1-4,18H2/t12-/m0/s1.
What are the key properties of (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 277.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171227912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).