2,2-difluoro-4,4-dimethylpentan-3-one

C7H12F2O — CID 54042718

IUPAC2,2-difluoro-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(C)(F)F
InChIInChI=1S/C7H12F2O/c1-6(2,3)5(10)7(4,8)9/h1-4H3
InChIKeyLNLWFRGLUATGNC-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.26
Rot. Bonds1

About 2,2-difluoro-4,4-dimethylpentan-3-one

2,2-difluoro-4,4-dimethylpentan-3-one (PubChem CID 54042718) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluoro-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2,2-difluoro-4,4-dimethylpentan-3-one
PubChem CID54042718
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2,2-difluoro-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(C)(F)F
InChIInChI=1S/C7H12F2O/c1-6(2,3)5(10)7(4,8)9/h1-4H3
InChIKeyLNLWFRGLUATGNC-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,4-dimethylpentan-3-one?
The IUPAC name of 2,2-difluoro-4,4-dimethylpentan-3-one (CID 54042718) is 2,2-difluoro-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2,2-difluoro-4,4-dimethylpentan-3-one?
The canonical SMILES for 2,2-difluoro-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-4,4-dimethylpentan-3-one?
The InChIKey is LNLWFRGLUATGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-6(2,3)5(10)7(4,8)9/h1-4H3.
What are the key properties of 2,2-difluoro-4,4-dimethylpentan-3-one?
2,2-difluoro-4,4-dimethylpentan-3-one has a molecular weight of 150.17 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,4-dimethylpentan-3-one is sourced from PubChem (CID 54042718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).