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

C12H14BrFO — CID 117104296

IUPAC1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
SMILESOC1(c2ccc(F)cc2Br)CCCCC1
InChIInChI=1S/C12H14BrFO/c13-11-8-9(14)4-5-10(11)12(15)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7H2
InChIKeyUUHSJVOPWRTJSB-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.74
Rot. Bonds1

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

1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol (PubChem CID 117104296) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
PubChem CID117104296
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
SMILESOC1(c2ccc(F)cc2Br)CCCCC1
InChIInChI=1S/C12H14BrFO/c13-11-8-9(14)4-5-10(11)12(15)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7H2
InChIKeyUUHSJVOPWRTJSB-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol (CID 117104296) is 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol is OC1(c2ccc(F)cc2Br)CCCCC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol?
The InChIKey is UUHSJVOPWRTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-11-8-9(14)4-5-10(11)12(15)6-2-1-3-7-12/h4-5,8,15H,1-3,6-7H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol?
1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol has a molecular weight of 273.14 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 117104296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).