1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one

C15H11F3O2 — CID 58272812

IUPAC1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C15H11F3O2/c16-11-3-1-9(14(17)7-11)5-13(20)6-10-2-4-12(19)8-15(10)18/h1-4,7-8,19H,5-6H2
InChIKeyKJEFAGAGLSUVOV-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one

1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one (PubChem CID 58272812) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
PubChem CID58272812
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C15H11F3O2/c16-11-3-1-9(14(17)7-11)5-13(20)6-10-2-4-12(19)8-15(10)18/h1-4,7-8,19H,5-6H2
InChIKeyKJEFAGAGLSUVOV-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)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-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-bromo-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131093105
N-(2-amino-4-hydroxyphenyl)-2-(2,4-difluorophenyl)acetamide
CID 107697659
1-(2,4-difluorophenyl)-3-propoxypropan-2-one
CID 62197357
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one
CID 106266079
1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 64559645
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
CID 116606369

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one (CID 58272812) is 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one is O=C(Cc1ccc(O)cc1F)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one?
The InChIKey is KJEFAGAGLSUVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-11-3-1-9(14(17)7-11)5-13(20)6-10-2-4-12(19)8-15(10)18/h1-4,7-8,19H,5-6H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one?
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one has a molecular weight of 280.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 58272812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).