2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone

C16H14ClFO — CID 107890556

IUPAC2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C16H14ClFO/c1-10-5-11(2)7-13(6-10)16(19)9-12-3-4-14(17)15(18)8-12/h3-8H,9H2,1-2H3
InChIKeyMFXKNISTNDLNTI-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.52
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone

2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone (PubChem CID 107890556) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
PubChem CID107890556
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C16H14ClFO/c1-10-5-11(2)7-13(6-10)16(19)9-12-3-4-14(17)15(18)8-12/h3-8H,9H2,1-2H3
InChIKeyMFXKNISTNDLNTI-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

1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(4-chloro-3-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethanone
CID 107890599
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
CID 114012626
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
(4-chloro-3-fluorophenyl)methyl 3-amino-5-methylbenzoate
CID 107885829
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
CID 107890839
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone (CID 107890556) is 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(C(=O)Cc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is MFXKNISTNDLNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-10-5-11(2)7-13(6-10)16(19)9-12-3-4-14(17)15(18)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone?
2-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 107890556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).