4,4-difluorocycloheptan-1-ol

C7H12F2O — CID 155821204

IUPAC4,4-difluorocycloheptan-1-ol
SMILESOC1CCCC(F)(F)CC1
InChIInChI=1S/C7H12F2O/c8-7(9)4-1-2-6(10)3-5-7/h6,10H,1-5H2
InChIKeyOJSZNSHVQJGVGJ-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.95
Rot. Bonds

About 4,4-difluorocycloheptan-1-ol

4,4-difluorocycloheptan-1-ol (PubChem CID 155821204) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 4,4-difluorocycloheptan-1-ol.

Molecular Properties

Compound Name4,4-difluorocycloheptan-1-ol
PubChem CID155821204
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name4,4-difluorocycloheptan-1-ol
SMILESOC1CCCC(F)(F)CC1
InChIInChI=1S/C7H12F2O/c8-7(9)4-1-2-6(10)3-5-7/h6,10H,1-5H2
InChIKeyOJSZNSHVQJGVGJ-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluorocyclohexane-1,3-diol
CID 175445441
5,5-dimethylcyclononan-1-ol
CID 130122952
cyclopentanol;hafnium
CID 150405183
pentakis(cyclopentanol);hafnium
CID 142301948
cyclohexanol;cyclooctanol
CID 22461579
cyclopentanol;dihydrochloride
CID 86599054
1-(hydroxymethyl)cyclooctane-1,5-diol
CID 11816153
cyclobutanol;cyclopropanol
CID 175019048
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
tetrakis(cyclooctanol);zirconium
CID 142301923
cyclohexanol;iron
CID 146901686
cyclohexanol;gallane
CID 172997547

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocycloheptan-1-ol?
The IUPAC name of 4,4-difluorocycloheptan-1-ol (CID 155821204) is 4,4-difluorocycloheptan-1-ol.
What is the SMILES notation for 4,4-difluorocycloheptan-1-ol?
The canonical SMILES for 4,4-difluorocycloheptan-1-ol is OC1CCCC(F)(F)CC1.
What is the InChIKey of 4,4-difluorocycloheptan-1-ol?
The InChIKey is OJSZNSHVQJGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c8-7(9)4-1-2-6(10)3-5-7/h6,10H,1-5H2.
What are the key properties of 4,4-difluorocycloheptan-1-ol?
4,4-difluorocycloheptan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorocycloheptan-1-ol is sourced from PubChem (CID 155821204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).