1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one

C10H8Cl2F2O — CID 130757125

IUPAC1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
SMILESCC(F)(F)C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2F2O/c1-10(13,14)8(15)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3
InChIKeyLVXFHFQPWJQWNP-UHFFFAOYSA-N
MW253.07 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one

1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one (PubChem CID 130757125) has the molecular formula C10H8Cl2F2O and a molecular weight of 253.07 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
PubChem CID130757125
Molecular FormulaC10H8Cl2F2O
Molecular Weight253.07 g/mol
Exact Mass251.99
IUPAC Name1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
SMILESCC(F)(F)C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2F2O/c1-10(13,14)8(15)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3
InChIKeyLVXFHFQPWJQWNP-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.07
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
CID 107311328
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 2781549
1-(2-chloro-3-methylphenyl)-3,3-dimethylbutan-2-one
CID 158906021
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
1-(2,3-dichlorophenyl)-3-methylbut-3-en-2-one
CID 107308061
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060982
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid
CID 79269061
3-amino-1-(2-chloro-3-fluorophenyl)-3-methylpentan-2-one
CID 116590457
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one (CID 130757125) is 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one is CC(F)(F)C(=O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one?
The InChIKey is LVXFHFQPWJQWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O/c1-10(13,14)8(15)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one?
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one has a molecular weight of 253.07 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one is sourced from PubChem (CID 130757125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).