(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol

C13H17ClFNO — CID 171161275

IUPAC(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
SMILESN[C@@H](c1ccc(Cl)cc1F)[C@H](O)C1CCCC1
InChIInChI=1S/C13H17ClFNO/c14-9-5-6-10(11(15)7-9)12(16)13(17)8-3-1-2-4-8/h5-8,12-13,17H,1-4,16H2/t12-,13+/m0/s1
InChIKeyDEOJUWVVNZJGIZ-QWHCGFSZSA-N
MW257.74 g/mol
LogP3.03
Rot. Bonds3

About (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol

(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol (PubChem CID 171161275) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
PubChem CID171161275
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
SMILESN[C@@H](c1ccc(Cl)cc1F)[C@H](O)C1CCCC1
InChIInChI=1S/C13H17ClFNO/c14-9-5-6-10(11(15)7-9)12(16)13(17)8-3-1-2-4-8/h5-8,12-13,17H,1-4,16H2/t12-,13+/m0/s1
InChIKeyDEOJUWVVNZJGIZ-QWHCGFSZSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569
(1R,2S)-2-amino-2-(2-amino-5-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171270956
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1R,2S)-2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171268985
(1S,2R)-2-amino-2-(4-chloro-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171264372
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride
CID 171270243
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol (CID 171161275) is (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol is N[C@@H](c1ccc(Cl)cc1F)[C@H](O)C1CCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol?
The InChIKey is DEOJUWVVNZJGIZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-9-5-6-10(11(15)7-9)12(16)13(17)8-3-1-2-4-8/h5-8,12-13,17H,1-4,16H2/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol?
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol has a molecular weight of 257.74 g/mol, XLogP of 3.03, 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-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol is sourced from PubChem (CID 171161275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).