(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol

C10H12BrFO — CID 94505320

IUPAC(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
SMILESCC[C@H](O)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H12BrFO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3/t9-/m0/s1
InChIKeyHARFQCZLOZHGFR-VIFPVBQESA-N
MW247.11 g/mol
LogP2.90
Rot. Bonds3

About (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol

(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol (PubChem CID 94505320) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
PubChem CID94505320
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
SMILESCC[C@H](O)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H12BrFO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3/t9-/m0/s1
InChIKeyHARFQCZLOZHGFR-VIFPVBQESA-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

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1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol
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1-(4-chloro-2-fluorophenyl)butan-2-ol
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1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198
3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
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1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
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4-bromo-2-fluoro-1-(2-methylhexyl)benzene
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3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol?
The IUPAC name of (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol (CID 94505320) is (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol.
What is the SMILES notation for (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol?
The canonical SMILES for (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol is CC[C@H](O)Cc1ccc(Br)cc1F.
What is the InChIKey of (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol?
The InChIKey is HARFQCZLOZHGFR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12BrFO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol?
(2S)-1-(4-bromo-2-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 (2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 94505320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).