1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one

C15H12F2O2 — CID 114065895

IUPAC1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2O2/c1-2-15(18)10-3-5-11(6-4-10)19-12-7-8-13(16)14(17)9-12/h3-9H,2H2,1H3
InChIKeyFDDUPJKUZANLHJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP4.35
Rot. Bonds4

About 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one

1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one (PubChem CID 114065895) has the molecular formula C15H12F2O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
PubChem CID114065895
Molecular FormulaC15H12F2O2
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2O2/c1-2-15(18)10-3-5-11(6-4-10)19-12-7-8-13(16)14(17)9-12/h3-9H,2H2,1H3
InChIKeyFDDUPJKUZANLHJ-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide
CID 99630422
4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 111758314
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 30057894
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one (CID 114065895) is 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one?
The InChIKey is FDDUPJKUZANLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-2-15(18)10-3-5-11(6-4-10)19-12-7-8-13(16)14(17)9-12/h3-9H,2H2,1H3.
What are the key properties of 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one?
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one has a molecular weight of 262.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one is sourced from PubChem (CID 114065895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).