1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one

C15H10Cl3FO — CID 63411519

IUPAC1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10Cl3FO/c16-10-5-4-9(14(18)7-10)6-11(20)8-12-13(17)2-1-3-15(12)19/h1-5,7H,6,8H2
InChIKeyPLJQELZFGHBXNJ-UHFFFAOYSA-N
MW331.60 g/mol
LogP5.14
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one

1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one (PubChem CID 63411519) has the molecular formula C15H10Cl3FO and a molecular weight of 331.60 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
PubChem CID63411519
Molecular FormulaC15H10Cl3FO
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10Cl3FO/c16-10-5-4-9(14(18)7-10)6-11(20)8-12-13(17)2-1-3-15(12)19/h1-5,7H,6,8H2
InChIKeyPLJQELZFGHBXNJ-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.60
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 64914010
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one (CID 63411519) is 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)cc1Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one?
The InChIKey is PLJQELZFGHBXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FO/c16-10-5-4-9(14(18)7-10)6-11(20)8-12-13(17)2-1-3-15(12)19/h1-5,7H,6,8H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one?
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one has a molecular weight of 331.60 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 63411519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).