1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione

C10H7ClF2O2 — CID 15338013

IUPAC1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione
SMILESO=C(CC(=O)C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClF2O2/c11-7-3-1-6(2-4-7)8(14)5-9(15)10(12)13/h1-4,10H,5H2
InChIKeyNVMGOZSUUFWNLY-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione

1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione (PubChem CID 15338013) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione
PubChem CID15338013
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione
SMILESO=C(CC(=O)C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClF2O2/c11-7-3-1-6(2-4-7)8(14)5-9(15)10(12)13/h1-4,10H,5H2
InChIKeyNVMGOZSUUFWNLY-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoro-1-[4-(2-methylpropyl)phenyl]butane-1,3-dione
CID 43118308
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969
1-(4-chlorophenyl)-2,5-diphenylpentane-1,3,5-trione
CID 11839356
4-amino-1-(4-chlorophenyl)butane-1,3-dione
CID 70490011
1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
CID 110825305
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795
1-(4-chlorophenyl)-3-hydroxy-3-iodopropan-1-one
CID 134357964
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
3-(4-chlorophenyl)-3-oxopropanal
CID 10442356
1-(4-chlorophenyl)-4,4-difluorobut-3-en-1-one
CID 162411590

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione?
The IUPAC name of 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione (CID 15338013) is 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione is O=C(CC(=O)C(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione?
The InChIKey is NVMGOZSUUFWNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c11-7-3-1-6(2-4-7)8(14)5-9(15)10(12)13/h1-4,10H,5H2.
What are the key properties of 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione?
1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione has a molecular weight of 232.61 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione is sourced from PubChem (CID 15338013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).