1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one

C15H10Cl2F2O — CID 102617799

IUPAC1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1Cl)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H10Cl2F2O/c16-13-5-4-11(18)6-10(13)8-12(20)7-9-2-1-3-14(17)15(9)19/h1-6H,7-8H2
InChIKeyWDVDEYZDQJNPLY-UHFFFAOYSA-N
MW315.15 g/mol
LogP4.63
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one

1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one (PubChem CID 102617799) has the molecular formula C15H10Cl2F2O and a molecular weight of 315.15 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
PubChem CID102617799
Molecular FormulaC15H10Cl2F2O
Molecular Weight315.15 g/mol
Exact Mass314.01
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1Cl)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H10Cl2F2O/c16-13-5-4-11(18)6-10(13)8-12(20)7-9-2-1-3-14(17)15(9)19/h1-6H,7-8H2
InChIKeyWDVDEYZDQJNPLY-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 82803396
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
1-(3-chloro-2-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473716
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029999
1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
CID 106677671

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one (CID 102617799) is 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one is O=C(Cc1cc(F)ccc1Cl)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one?
The InChIKey is WDVDEYZDQJNPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2O/c16-13-5-4-11(18)6-10(13)8-12(20)7-9-2-1-3-14(17)15(9)19/h1-6H,7-8H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one?
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one has a molecular weight of 315.15 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one is sourced from PubChem (CID 102617799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).