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

C15H10ClF3O — CID 63034230

IUPAC1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1Cl)Cc1cccc(F)c1F
InChIInChI=1S/C15H10ClF3O/c16-13-8-11(17)5-4-9(13)6-12(20)7-10-2-1-3-14(18)15(10)19/h1-5,8H,6-7H2
InChIKeyQQADATWKMLGOTB-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.11
Rot. Bonds4

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

1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one (PubChem CID 63034230) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
PubChem CID63034230
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1Cl)Cc1cccc(F)c1F
InChIInChI=1S/C15H10ClF3O/c16-13-8-11(17)5-4-9(13)6-12(20)7-10-2-1-3-14(18)15(10)19/h1-5,8H,6-7H2
InChIKeyQQADATWKMLGOTB-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
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CID 116550836
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63738285
1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
CID 62620288
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
1-(2-chloro-4-fluorophenyl)-5,5-dimethylhexan-2-one
CID 63034237

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one (CID 63034230) is 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1Cl)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one?
The InChIKey is QQADATWKMLGOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c16-13-8-11(17)5-4-9(13)6-12(20)7-10-2-1-3-14(18)15(10)19/h1-5,8H,6-7H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one?
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one has a molecular weight of 298.69 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one is sourced from PubChem (CID 63034230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).