2,2-difluoro-1-phenylpropan-1-one

C9H8F2O — CID 10931851

IUPAC2,2-difluoro-1-phenylpropan-1-one
SMILESCC(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C9H8F2O/c1-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyLBHQLBHEQJJNQL-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.52
Rot. Bonds2

About 2,2-difluoro-1-phenylpropan-1-one

2,2-difluoro-1-phenylpropan-1-one (PubChem CID 10931851) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 2,2-difluoro-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-phenylpropan-1-one
PubChem CID10931851
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name2,2-difluoro-1-phenylpropan-1-one
SMILESCC(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C9H8F2O/c1-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyLBHQLBHEQJJNQL-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenylpropan-1-one?
The IUPAC name of 2,2-difluoro-1-phenylpropan-1-one (CID 10931851) is 2,2-difluoro-1-phenylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-1-phenylpropan-1-one?
The canonical SMILES for 2,2-difluoro-1-phenylpropan-1-one is CC(F)(F)C(=O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenylpropan-1-one?
The InChIKey is LBHQLBHEQJJNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2,2-difluoro-1-phenylpropan-1-one?
2,2-difluoro-1-phenylpropan-1-one has a molecular weight of 170.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenylpropan-1-one is sourced from PubChem (CID 10931851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).