7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol

C13H14F2O — CID 79330754

IUPAC7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(c2cc(F)ccc2F)C2CCCCC21
InChIInChI=1S/C13H14F2O/c14-8-5-6-12(15)11(7-8)13(16)9-3-1-2-4-10(9)13/h5-7,9-10,16H,1-4H2
InChIKeyCSULEDAKASGAGV-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.97
Rot. Bonds1

About 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol

7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79330754) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79330754
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(c2cc(F)ccc2F)C2CCCCC21
InChIInChI=1S/C13H14F2O/c14-8-5-6-12(15)11(7-8)13(16)9-3-1-2-4-10(9)13/h5-7,9-10,16H,1-4H2
InChIKeyCSULEDAKASGAGV-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol (CID 79330754) is 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol is OC1(c2cc(F)ccc2F)C2CCCCC21.
What is the InChIKey of 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is CSULEDAKASGAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c14-8-5-6-12(15)11(7-8)13(16)9-3-1-2-4-10(9)13/h5-7,9-10,16H,1-4H2.
What are the key properties of 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol?
7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 224.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79330754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).