2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone

C16H14ClFO — CID 82802596

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C16H14ClFO/c1-10-6-11(2)8-13(7-10)15(19)9-12-4-3-5-14(17)16(12)18/h3-8H,9H2,1-2H3
InChIKeyZRXXJSSWNXVLDF-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.52
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone (PubChem CID 82802596) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
PubChem CID82802596
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C16H14ClFO/c1-10-6-11(2)8-13(7-10)15(19)9-12-4-3-5-14(17)16(12)18/h3-8H,9H2,1-2H3
InChIKeyZRXXJSSWNXVLDF-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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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 82802930
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 102865739
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone
CID 114219106
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone (CID 82802596) is 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(C(=O)Cc2cccc(Cl)c2F)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is ZRXXJSSWNXVLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-10-6-11(2)8-13(7-10)15(19)9-12-4-3-5-14(17)16(12)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(3,5-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 2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 82802596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).