6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol

C12H12ClFO — CID 79330942

IUPAC6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(c2c(F)cccc2Cl)C2CCCC21
InChIInChI=1S/C12H12ClFO/c13-9-5-2-6-10(14)11(9)12(15)7-3-1-4-8(7)12/h2,5-8,15H,1,3-4H2
InChIKeyQOECCKYDYLQCLE-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.10
Rot. Bonds1

About 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol

6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79330942) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79330942
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(c2c(F)cccc2Cl)C2CCCC21
InChIInChI=1S/C12H12ClFO/c13-9-5-2-6-10(14)11(9)12(15)7-3-1-4-8(7)12/h2,5-8,15H,1,3-4H2
InChIKeyQOECCKYDYLQCLE-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol (CID 79330942) is 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol is OC1(c2c(F)cccc2Cl)C2CCCC21.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is QOECCKYDYLQCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c13-9-5-2-6-10(14)11(9)12(15)7-3-1-4-8(7)12/h2,5-8,15H,1,3-4H2.
What are the key properties of 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol?
6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 226.68 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79330942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).