1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one

C15H11Cl2FO — CID 82801940

IUPAC1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H11Cl2FO/c16-12-6-4-10(5-7-12)8-13(19)9-11-2-1-3-14(17)15(11)18/h1-7H,8-9H2
InChIKeyGTDVYJGUXAQXEP-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one

1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one (PubChem CID 82801940) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
PubChem CID82801940
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H11Cl2FO/c16-12-6-4-10(5-7-12)8-13(19)9-11-2-1-3-14(17)15(11)18/h1-7H,8-9H2
InChIKeyGTDVYJGUXAQXEP-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803152
1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 82803396
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
CID 102857222
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-one
CID 102857196
1-(3-chloro-2-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473716
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one (CID 82801940) is 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
The InChIKey is GTDVYJGUXAQXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c16-12-6-4-10(5-7-12)8-13(19)9-11-2-1-3-14(17)15(11)18/h1-7H,8-9H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one has a molecular weight of 297.16 g/mol, XLogP of 4.49, 4 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)-3-(4-chlorophenyl)propan-2-one is sourced from PubChem (CID 82801940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).