1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one

C17H16F2O — CID 62620288

IUPAC1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
SMILESCc1cc(C)cc(CC(=O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C17H16F2O/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(18)17(14)19/h3-8H,9-10H2,1-2H3
InChIKeyCPDKLVULKBQMPT-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.94
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one

1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one (PubChem CID 62620288) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
PubChem CID62620288
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
SMILESCc1cc(C)cc(CC(=O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C17H16F2O/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(18)17(14)19/h3-8H,9-10H2,1-2H3
InChIKeyCPDKLVULKBQMPT-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
1-(2,3-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 63989422
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(2,3-difluorophenyl)-4-methylhexan-2-one
CID 114875069
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one (CID 62620288) is 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one is Cc1cc(C)cc(CC(=O)Cc2cccc(F)c2F)c1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one?
The InChIKey is CPDKLVULKBQMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(18)17(14)19/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one?
1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one has a molecular weight of 274.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 62620288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).