2,2-difluoro-1-phenylbutane-1,3-dione

C10H8F2O2 — CID 14793037

IUPAC2,2-difluoro-1-phenylbutane-1,3-dione
SMILESCC(=O)C(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C10H8F2O2/c1-7(13)10(11,12)9(14)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBAMPPWBGPVMCLP-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.09
Rot. Bonds3

About 2,2-difluoro-1-phenylbutane-1,3-dione

2,2-difluoro-1-phenylbutane-1,3-dione (PubChem CID 14793037) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2,2-difluoro-1-phenylbutane-1,3-dione.

Molecular Properties

Compound Name2,2-difluoro-1-phenylbutane-1,3-dione
PubChem CID14793037
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2,2-difluoro-1-phenylbutane-1,3-dione
SMILESCC(=O)C(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C10H8F2O2/c1-7(13)10(11,12)9(14)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBAMPPWBGPVMCLP-UHFFFAOYSA-N
XLogP2.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.09
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

2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
potassium 2,2-difluoro-3-oxo-3-phenylpropanoate
CID 132514388
2,2-difluoro-1-phenylhexane-1,5-dione
CID 10561190
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
1-phenylethanone;2,2,2-tribromo-1-phenylethanone
CID 23466177
2-benzoyl-2-fluorobutanoic acid
CID 57285727
1-phenyl-2,2-bis(trifluoromethyl)butan-1-one
CID 71529526
2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
CID 101146953
2-ethyl-2-hydroxy-1-phenylbutane-1,3-dione
CID 174851093
benzoic acid tritetrafluoroborate
CID 173117311
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenylbutane-1,3-dione?
The IUPAC name of 2,2-difluoro-1-phenylbutane-1,3-dione (CID 14793037) is 2,2-difluoro-1-phenylbutane-1,3-dione.
What is the SMILES notation for 2,2-difluoro-1-phenylbutane-1,3-dione?
The canonical SMILES for 2,2-difluoro-1-phenylbutane-1,3-dione is CC(=O)C(F)(F)C(=O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenylbutane-1,3-dione?
The InChIKey is BAMPPWBGPVMCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-7(13)10(11,12)9(14)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2,2-difluoro-1-phenylbutane-1,3-dione?
2,2-difluoro-1-phenylbutane-1,3-dione has a molecular weight of 198.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenylbutane-1,3-dione is sourced from PubChem (CID 14793037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).