2,2-difluoro-1-(2-fluorophenyl)butan-1-one

C10H9F3O — CID 140875241

IUPAC2,2-difluoro-1-(2-fluorophenyl)butan-1-one
SMILESCCC(F)(F)C(=O)c1ccccc1F
InChIInChI=1S/C10H9F3O/c1-2-10(12,13)9(14)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChIKeyXZUUYZVKCHWOGB-UHFFFAOYSA-N
MW202.18 g/mol
LogP3.05
Rot. Bonds3

About 2,2-difluoro-1-(2-fluorophenyl)butan-1-one

2,2-difluoro-1-(2-fluorophenyl)butan-1-one (PubChem CID 140875241) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(2-fluorophenyl)butan-1-one
PubChem CID140875241
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name2,2-difluoro-1-(2-fluorophenyl)butan-1-one
SMILESCCC(F)(F)C(=O)c1ccccc1F
InChIInChI=1S/C10H9F3O/c1-2-10(12,13)9(14)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChIKeyXZUUYZVKCHWOGB-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116592956
2-bromo-1-(2-fluorophenyl)-2-methylsulfonylbutan-1-one
CID 102549912
2-(ethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116566057
2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one
CID 79067259
2-ethyl-1-(2-fluorophenyl)-2-methyl-4-phenylbut-3-yn-1-one
CID 164681278
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
ethane;2-fluorobenzoic acid
CID 91182768
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
CID 107868190
1-(2-fluorophenyl)-2-hydroxybutan-1-one
CID 103453135
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-fluorophenyl)butan-1-one?
The IUPAC name of 2,2-difluoro-1-(2-fluorophenyl)butan-1-one (CID 140875241) is 2,2-difluoro-1-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(2-fluorophenyl)butan-1-one?
The canonical SMILES for 2,2-difluoro-1-(2-fluorophenyl)butan-1-one is CCC(F)(F)C(=O)c1ccccc1F.
What is the InChIKey of 2,2-difluoro-1-(2-fluorophenyl)butan-1-one?
The InChIKey is XZUUYZVKCHWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-2-10(12,13)9(14)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3.
What are the key properties of 2,2-difluoro-1-(2-fluorophenyl)butan-1-one?
2,2-difluoro-1-(2-fluorophenyl)butan-1-one has a molecular weight of 202.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 140875241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).