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

C11H13ClFNO — CID 171161359

IUPAC(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
SMILESN[C@@H](c1ccc(F)cc1Cl)[C@H](O)C1CC1
InChIInChI=1S/C11H13ClFNO/c12-9-5-7(13)3-4-8(9)10(14)11(15)6-1-2-6/h3-6,10-11,15H,1-2,14H2/t10-,11+/m0/s1
InChIKeyLIAWHJJDULNJBL-WDEREUQCSA-N
MW229.68 g/mol
LogP2.25
Rot. Bonds3

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

(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol (PubChem CID 171161359) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
PubChem CID171161359
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
SMILESN[C@@H](c1ccc(F)cc1Cl)[C@H](O)C1CC1
InChIInChI=1S/C11H13ClFNO/c12-9-5-7(13)3-4-8(9)10(14)11(15)6-1-2-6/h3-6,10-11,15H,1-2,14H2/t10-,11+/m0/s1
InChIKeyLIAWHJJDULNJBL-WDEREUQCSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945
(1S,2R)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171262268
(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride
CID 171264677
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
CID 171161362
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171270206

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol (CID 171161359) is (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol is N[C@@H](c1ccc(F)cc1Cl)[C@H](O)C1CC1.
What is the InChIKey of (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol?
The InChIKey is LIAWHJJDULNJBL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-9-5-7(13)3-4-8(9)10(14)11(15)6-1-2-6/h3-6,10-11,15H,1-2,14H2/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol?
(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol has a molecular weight of 229.68 g/mol, XLogP of 2.25, 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-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol is sourced from PubChem (CID 171161359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).