(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol

C9H10BrFO — CID 95757294

IUPAC(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
SMILESC[C@@H](O)Cc1cccc(Br)c1F
InChIInChI=1S/C9H10BrFO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeySXKDBNOKSDWGBN-ZCFIWIBFSA-N
MW233.08 g/mol
LogP2.51
Rot. Bonds2

About (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol

(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol (PubChem CID 95757294) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
PubChem CID95757294
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
SMILESC[C@@H](O)Cc1cccc(Br)c1F
InChIInChI=1S/C9H10BrFO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeySXKDBNOKSDWGBN-ZCFIWIBFSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
1-(3-bromo-2-methoxyphenyl)propan-2-ol
CID 83675437
(NE)-N-[1-(3-bromo-2-fluorophenyl)-2,5-dimethylhexan-3-ylidene]hydroxylamine
CID 174262970
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
1-(3-bromo-2-fluorophenyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 174234166
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol?
The IUPAC name of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol (CID 95757294) is (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol?
The canonical SMILES for (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol is C[C@@H](O)Cc1cccc(Br)c1F.
What is the InChIKey of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol?
The InChIKey is SXKDBNOKSDWGBN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6,12H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol?
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol has a molecular weight of 233.08 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 95757294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).