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

C12H14BrFO — CID 70306555

IUPAC(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
SMILESO[C@H]1CCCCC1c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFO/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h5-7,10,12,15H,1-4H2/t10?,12-/m0/s1
InChIKeyKWUNNPQFVPUGAM-KFJBMODSSA-N
MW273.14 g/mol
LogP3.61
Rot. Bonds1

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

(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol (PubChem CID 70306555) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
PubChem CID70306555
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
SMILESO[C@H]1CCCCC1c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFO/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h5-7,10,12,15H,1-4H2/t10?,12-/m0/s1
InChIKeyKWUNNPQFVPUGAM-KFJBMODSSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone
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2-(2,3,5-trifluorophenyl)cyclohexan-1-ol
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(1R)-2-(3-bromophenyl)cyclopentan-1-ol
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2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
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CID 106763335

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol (CID 70306555) is (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol is O[C@H]1CCCCC1c1ccc(Br)cc1F.
What is the InChIKey of (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol?
The InChIKey is KWUNNPQFVPUGAM-KFJBMODSSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h5-7,10,12,15H,1-4H2/t10?,12-/m0/s1.
What are the key properties of (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol?
(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol has a molecular weight of 273.14 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 70306555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).