5,5-difluorocyclooctan-1-one

C8H12F2O — CID 139801373

IUPAC5,5-difluorocyclooctan-1-one
SMILESO=C1CCCC(F)(F)CCC1
InChIInChI=1S/C8H12F2O/c9-8(10)5-1-3-7(11)4-2-6-8/h1-6H2
InChIKeyHJHOOVWWYNGLFZ-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.55
Rot. Bonds

About 5,5-difluorocyclooctan-1-one

5,5-difluorocyclooctan-1-one (PubChem CID 139801373) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 5,5-difluorocyclooctan-1-one.

Molecular Properties

Compound Name5,5-difluorocyclooctan-1-one
PubChem CID139801373
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name5,5-difluorocyclooctan-1-one
SMILESO=C1CCCC(F)(F)CCC1
InChIInChI=1S/C8H12F2O/c9-8(10)5-1-3-7(11)4-2-6-8/h1-6H2
InChIKeyHJHOOVWWYNGLFZ-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluorocyclooctan-1-one?
The IUPAC name of 5,5-difluorocyclooctan-1-one (CID 139801373) is 5,5-difluorocyclooctan-1-one.
What is the SMILES notation for 5,5-difluorocyclooctan-1-one?
The canonical SMILES for 5,5-difluorocyclooctan-1-one is O=C1CCCC(F)(F)CCC1.
What is the InChIKey of 5,5-difluorocyclooctan-1-one?
The InChIKey is HJHOOVWWYNGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c9-8(10)5-1-3-7(11)4-2-6-8/h1-6H2.
What are the key properties of 5,5-difluorocyclooctan-1-one?
5,5-difluorocyclooctan-1-one has a molecular weight of 162.18 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorocyclooctan-1-one is sourced from PubChem (CID 139801373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).