4,5-difluorocycloheptan-1-ol

C7H12F2O — CID 155001040

IUPAC4,5-difluorocycloheptan-1-ol
SMILESOC1CCC(F)C(F)CC1
InChIInChI=1S/C7H12F2O/c8-6-3-1-5(10)2-4-7(6)9/h5-7,10H,1-4H2
InChIKeyLLABKFRWVFYKOH-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.60
Rot. Bonds

About 4,5-difluorocycloheptan-1-ol

4,5-difluorocycloheptan-1-ol (PubChem CID 155001040) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 4,5-difluorocycloheptan-1-ol.

Molecular Properties

Compound Name4,5-difluorocycloheptan-1-ol
PubChem CID155001040
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name4,5-difluorocycloheptan-1-ol
SMILESOC1CCC(F)C(F)CC1
InChIInChI=1S/C7H12F2O/c8-6-3-1-5(10)2-4-7(6)9/h5-7,10H,1-4H2
InChIKeyLLABKFRWVFYKOH-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluorocycloheptan-1-ol?
The IUPAC name of 4,5-difluorocycloheptan-1-ol (CID 155001040) is 4,5-difluorocycloheptan-1-ol.
What is the SMILES notation for 4,5-difluorocycloheptan-1-ol?
The canonical SMILES for 4,5-difluorocycloheptan-1-ol is OC1CCC(F)C(F)CC1.
What is the InChIKey of 4,5-difluorocycloheptan-1-ol?
The InChIKey is LLABKFRWVFYKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c8-6-3-1-5(10)2-4-7(6)9/h5-7,10H,1-4H2.
What are the key properties of 4,5-difluorocycloheptan-1-ol?
4,5-difluorocycloheptan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluorocycloheptan-1-ol is sourced from PubChem (CID 155001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).