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

C16H13F3O2 — CID 104793440

IUPAC1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(F)cc2F)c1F
InChIInChI=1S/C16H13F3O2/c1-21-15-4-2-3-11(16(15)19)8-13(20)7-10-5-6-12(17)9-14(10)18/h2-6,9H,7-8H2,1H3
InChIKeyHRGXUSNMKCZUKW-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.47
Rot. Bonds5

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

1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one (PubChem CID 104793440) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
PubChem CID104793440
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(F)cc2F)c1F
InChIInChI=1S/C16H13F3O2/c1-21-15-4-2-3-11(16(15)19)8-13(20)7-10-5-6-12(17)9-14(10)18/h2-6,9H,7-8H2,1H3
InChIKeyHRGXUSNMKCZUKW-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 104793473
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 116555997
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one (CID 104793440) is 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2ccc(F)cc2F)c1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The InChIKey is HRGXUSNMKCZUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-21-15-4-2-3-11(16(15)19)8-13(20)7-10-5-6-12(17)9-14(10)18/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one has a molecular weight of 294.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 104793440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).