(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol

C11H13F2NO — CID 171160265

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
SMILESN[C@H](c1ccc(F)cc1F)[C@@H](O)C1CC1
InChIInChI=1S/C11H13F2NO/c12-7-3-4-8(9(13)5-7)10(14)11(15)6-1-2-6/h3-6,10-11,15H,1-2,14H2/t10-,11+/m1/s1
InChIKeyYMYPCSOZUWDIMH-MNOVXSKESA-N
MW213.23 g/mol
LogP1.74
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol

(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol (PubChem CID 171160265) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
PubChem CID171160265
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
SMILESN[C@H](c1ccc(F)cc1F)[C@@H](O)C1CC1
InChIInChI=1S/C11H13F2NO/c12-7-3-4-8(9(13)5-7)10(14)11(15)6-1-2-6/h3-6,10-11,15H,1-2,14H2/t10-,11+/m1/s1
InChIKeyYMYPCSOZUWDIMH-MNOVXSKESA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
CID 171161359
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(1S,2R)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171262268
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171270206
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171264528
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171159980
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171261002

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol (CID 171160265) is (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol is N[C@H](c1ccc(F)cc1F)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol?
The InChIKey is YMYPCSOZUWDIMH-MNOVXSKESA-N. The full InChI is InChI=1S/C11H13F2NO/c12-7-3-4-8(9(13)5-7)10(14)11(15)6-1-2-6/h3-6,10-11,15H,1-2,14H2/t10-,11+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol?
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol has a molecular weight of 213.23 g/mol, XLogP of 1.74, 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-cyclopropyl-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 171160265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).