(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol

C10H12BrFO — CID 164664102

IUPAC(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol
SMILESC[C@@H](O)CCc1cccc(F)c1Br
InChIInChI=1S/C10H12BrFO/c1-7(13)5-6-8-3-2-4-9(12)10(8)11/h2-4,7,13H,5-6H2,1H3/t7-/m1/s1
InChIKeyXZDIZLLPJNRBKL-SSDOTTSWSA-N
MW247.11 g/mol
LogP2.90
Rot. Bonds3

About (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol

(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol (PubChem CID 164664102) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol
PubChem CID164664102
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol
SMILESC[C@@H](O)CCc1cccc(F)c1Br
InChIInChI=1S/C10H12BrFO/c1-7(13)5-6-8-3-2-4-9(12)10(8)11/h2-4,7,13H,5-6H2,1H3/t7-/m1/s1
InChIKeyXZDIZLLPJNRBKL-SSDOTTSWSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluorophenyl)butan-2-ol
CID 12618518
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
1-(2-bromo-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115789993
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
2-[(2-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149290
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
N-[(2-bromo-3-fluorophenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104828121
3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
CID 103459440
1-bromo-N-[(2-bromo-3-fluorophenyl)methyl]-N-methylpropan-2-amine
CID 104554874
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 106507545
1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
CID 114246520

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol?
The IUPAC name of (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol (CID 164664102) is (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol.
What is the SMILES notation for (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol?
The canonical SMILES for (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol is C[C@@H](O)CCc1cccc(F)c1Br.
What is the InChIKey of (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol?
The InChIKey is XZDIZLLPJNRBKL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-7(13)5-6-8-3-2-4-9(12)10(8)11/h2-4,7,13H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol?
(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol has a molecular weight of 247.11 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol is sourced from PubChem (CID 164664102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).