(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride

C13H17ClF3NO — CID 171262501

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(F)c1F)[C@@H](O)C1CCCC1
InChIInChI=1S/C13H16F3NO.ClH/c14-8-5-9(11(16)10(15)6-8)12(17)13(18)7-3-1-2-4-7;/h5-7,12-13,18H,1-4,17H2;1H/t12-,13+;/m1./s1
InChIKeyMWOXSEOQLDPAEG-KZCZEQIWSA-N
MW295.73 g/mol
LogP3.08
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride (PubChem CID 171262501) has the molecular formula C13H17ClF3NO and a molecular weight of 295.73 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride
PubChem CID171262501
Molecular FormulaC13H17ClF3NO
Molecular Weight295.73 g/mol
Exact Mass295.10
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(F)c1F)[C@@H](O)C1CCCC1
InChIInChI=1S/C13H16F3NO.ClH/c14-8-5-9(11(16)10(15)6-8)12(17)13(18)7-3-1-2-4-7;/h5-7,12-13,18H,1-4,17H2;1H/t12-,13+;/m1./s1
InChIKeyMWOXSEOQLDPAEG-KZCZEQIWSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine
CID 171224857
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171261002
(1R,2S)-2-amino-1-cyclobutyl-2-(2,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161583
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
(1R,2S)-2-amino-1-cyclopropyl-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161607
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1S,2R)-2-amino-2-(4-chloro-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171264372

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride (CID 171262501) is (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride is Cl.N[C@H](c1cc(F)cc(F)c1F)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride?
The InChIKey is MWOXSEOQLDPAEG-KZCZEQIWSA-N. The full InChI is InChI=1S/C13H16F3NO.ClH/c14-8-5-9(11(16)10(15)6-8)12(17)13(18)7-3-1-2-4-7;/h5-7,12-13,18H,1-4,17H2;1H/t12-,13+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride has a molecular weight of 295.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171262501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).