1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone

C16H14ClFO — CID 64714143

IUPAC1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(Cl)c2F)cc1C
InChIInChI=1S/C16H14ClFO/c1-10-6-7-12(8-11(10)2)9-15(19)13-4-3-5-14(17)16(13)18/h3-8H,9H2,1-2H3
InChIKeyZTJBUTIHSMEYPJ-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.52
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone

1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 64714143) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID64714143
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(Cl)c2F)cc1C
InChIInChI=1S/C16H14ClFO/c1-10-6-7-12(8-11(10)2)9-15(19)13-4-3-5-14(17)16(13)18/h3-8H,9H2,1-2H3
InChIKeyZTJBUTIHSMEYPJ-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone (CID 64714143) is 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2cccc(Cl)c2F)cc1C.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is ZTJBUTIHSMEYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-10-6-7-12(8-11(10)2)9-15(19)13-4-3-5-14(17)16(13)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone?
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 276.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 64714143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).