1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one

C16H13Cl2FO — CID 105373192

IUPAC1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
SMILESCc1ccc(F)cc1CC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2FO/c1-10-5-6-12(19)7-11(10)8-13(20)9-14-15(17)3-2-4-16(14)18/h2-7H,8-9H2,1H3
InChIKeyWTHJUQXXNMSSIT-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.80
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one

1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one (PubChem CID 105373192) has the molecular formula C16H13Cl2FO and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
PubChem CID105373192
Molecular FormulaC16H13Cl2FO
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
SMILESCc1ccc(F)cc1CC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2FO/c1-10-5-6-12(19)7-11(10)8-13(20)9-14-15(17)3-2-4-16(14)18/h2-7H,8-9H2,1H3
InChIKeyWTHJUQXXNMSSIT-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
CID 105373164
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
1-(2,6-dichlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376936
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one (CID 105373192) is 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one is Cc1ccc(F)cc1CC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one?
The InChIKey is WTHJUQXXNMSSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO/c1-10-5-6-12(19)7-11(10)8-13(20)9-14-15(17)3-2-4-16(14)18/h2-7H,8-9H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one?
1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one has a molecular weight of 311.18 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 105373192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).