2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride

C16H13ClF2O — CID 117048265

IUPAC2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride
SMILESCC(Cc1ccccc1)(C(=O)Cl)c1c(F)cccc1F
InChIInChI=1S/C16H13ClF2O/c1-16(15(17)20,10-11-6-3-2-4-7-11)14-12(18)8-5-9-13(14)19/h2-9H,10H2,1H3
InChIKeyBPLPHXQNOFADLD-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.23
Rot. Bonds4

About 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride

2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride (PubChem CID 117048265) has the molecular formula C16H13ClF2O and a molecular weight of 294.73 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride
PubChem CID117048265
Molecular FormulaC16H13ClF2O
Molecular Weight294.73 g/mol
Exact Mass294.06
IUPAC Name2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride
SMILESCC(Cc1ccccc1)(C(=O)Cl)c1c(F)cccc1F
InChIInChI=1S/C16H13ClF2O/c1-16(15(17)20,10-11-6-3-2-4-7-11)14-12(18)8-5-9-13(14)19/h2-9H,10H2,1H3
InChIKeyBPLPHXQNOFADLD-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-phenyl-2-(2,3,4-trifluorophenyl)propanoyl chloride
CID 117048253
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
2-benzyl-4,4,4-trifluoro-2-methylbutanoyl chloride
CID 146469643
2,2-dimethylpropylbenzene;methanol
CID 157125736
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142
2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol
CID 114934981
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449
(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
CID 146469685
ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
CID 117048127

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride?
The IUPAC name of 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride (CID 117048265) is 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride is CC(Cc1ccccc1)(C(=O)Cl)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride?
The InChIKey is BPLPHXQNOFADLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O/c1-16(15(17)20,10-11-6-3-2-4-7-11)14-12(18)8-5-9-13(14)19/h2-9H,10H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride?
2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride has a molecular weight of 294.73 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride is sourced from PubChem (CID 117048265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).