(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol

C11H13BrFNO — CID 171267994

IUPAC(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
SMILESN[C@@H](c1cccc(F)c1Br)[C@H](O)C1CC1
InChIInChI=1S/C11H13BrFNO/c12-9-7(2-1-3-8(9)13)10(14)11(15)6-4-5-6/h1-3,6,10-11,15H,4-5,14H2/t10-,11+/m0/s1
InChIKeyKQQSPGXVXQLQDL-WDEREUQCSA-N
MW274.13 g/mol
LogP2.36
Rot. Bonds3

About (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol

(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol (PubChem CID 171267994) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
PubChem CID171267994
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
SMILESN[C@@H](c1cccc(F)c1Br)[C@H](O)C1CC1
InChIInChI=1S/C11H13BrFNO/c12-9-7(2-1-3-8(9)13)10(14)11(15)6-4-5-6/h1-3,6,10-11,15H,4-5,14H2/t10-,11+/m0/s1
InChIKeyKQQSPGXVXQLQDL-WDEREUQCSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
CID 171268000
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
CID 171260974
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
[(2-bromo-3-fluorophenyl)-cyclopropylmethyl]hydrazine
CID 105314529
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol (CID 171267994) is (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol is N[C@@H](c1cccc(F)c1Br)[C@H](O)C1CC1.
What is the InChIKey of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol?
The InChIKey is KQQSPGXVXQLQDL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-7(2-1-3-8(9)13)10(14)11(15)6-4-5-6/h1-3,6,10-11,15H,4-5,14H2/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol?
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol has a molecular weight of 274.13 g/mol, XLogP of 2.36, 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-bromo-3-fluorophenyl)-1-cyclopropylethanol is sourced from PubChem (CID 171267994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).