(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol

C14H17F4NO — CID 171269045

IUPAC(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
SMILESN[C@@H](c1c(F)cccc1C(F)(F)F)[C@H](O)C1CCCC1
InChIInChI=1S/C14H17F4NO/c15-10-7-3-6-9(14(16,17)18)11(10)12(19)13(20)8-4-1-2-5-8/h3,6-8,12-13,20H,1-2,4-5,19H2/t12-,13+/m0/s1
InChIKeyMTWLGUURMDOEEL-QWHCGFSZSA-N
MW291.29 g/mol
LogP3.40
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol

(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol (PubChem CID 171269045) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
PubChem CID171269045
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
SMILESN[C@@H](c1c(F)cccc1C(F)(F)F)[C@H](O)C1CCCC1
InChIInChI=1S/C14H17F4NO/c15-10-7-3-6-9(14(16,17)18)11(10)12(19)13(20)8-4-1-2-5-8/h3,6-8,12-13,20H,1-2,4-5,19H2/t12-,13+/m0/s1
InChIKeyMTWLGUURMDOEEL-QWHCGFSZSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
CID 171269053
(1R,2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
CID 171269599
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
CID 171269957
(1R,2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171269601
(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
CID 171263981
(1R)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242250
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(1S,2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171263957
(1R,2S)-1-amino-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171263389
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol (CID 171269045) is (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol is N[C@@H](c1c(F)cccc1C(F)(F)F)[C@H](O)C1CCCC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MTWLGUURMDOEEL-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17F4NO/c15-10-7-3-6-9(14(16,17)18)11(10)12(19)13(20)8-4-1-2-5-8/h3,6-8,12-13,20H,1-2,4-5,19H2/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol?
(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol has a molecular weight of 291.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 171269045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).