1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one

C10H8F4O — CID 164660566

IUPAC1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one
SMILESCCC(F)(F)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H8F4O/c1-2-10(13,14)9(15)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3
InChIKeyJIJXMYNYDCKUDV-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.19
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one

1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one (PubChem CID 164660566) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one
PubChem CID164660566
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one
SMILESCCC(F)(F)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H8F4O/c1-2-10(13,14)9(15)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3
InChIKeyJIJXMYNYDCKUDV-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one?
The IUPAC name of 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one (CID 164660566) is 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one is CCC(F)(F)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one?
The InChIKey is JIJXMYNYDCKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-2-10(13,14)9(15)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one?
1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one has a molecular weight of 220.16 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one is sourced from PubChem (CID 164660566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).