(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol

C12H14BrF2NO — CID 171268665

IUPAC(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
SMILESN[C@@H](c1c(F)cc(Br)cc1F)[C@H](O)C1CCC1
InChIInChI=1S/C12H14BrF2NO/c13-7-4-8(14)10(9(15)5-7)11(16)12(17)6-2-1-3-6/h4-6,11-12,17H,1-3,16H2/t11-,12+/m0/s1
InChIKeyDYGDJHXQFQENQS-NWDGAFQWSA-N
MW306.15 g/mol
LogP2.89
Rot. Bonds3

About (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol

(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol (PubChem CID 171268665) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
PubChem CID171268665
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
SMILESN[C@@H](c1c(F)cc(Br)cc1F)[C@H](O)C1CCC1
InChIInChI=1S/C12H14BrF2NO/c13-7-4-8(14)10(9(15)5-7)11(16)12(17)6-2-1-3-6/h4-6,11-12,17H,1-3,16H2/t11-,12+/m0/s1
InChIKeyDYGDJHXQFQENQS-NWDGAFQWSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
(1S,2R)-2-amino-2-(4-chloro-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171264372
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
CID 171267775
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
CID 171267777
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
(1R,2S)-2-amino-1-cyclobutyl-2-(2,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161583
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 171265841
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol (CID 171268665) is (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol is N[C@@H](c1c(F)cc(Br)cc1F)[C@H](O)C1CCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol?
The InChIKey is DYGDJHXQFQENQS-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-7-4-8(14)10(9(15)5-7)11(16)12(17)6-2-1-3-6/h4-6,11-12,17H,1-3,16H2/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol?
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol has a molecular weight of 306.15 g/mol, XLogP of 2.89, 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-bromo-2,6-difluorophenyl)-1-cyclobutylethanol is sourced from PubChem (CID 171268665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).