1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one

C15H11F3O2 — CID 43232352

IUPAC1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
SMILESCC(Oc1ccc(F)cc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3O2/c1-9(20-12-5-2-10(16)3-6-12)15(19)13-7-4-11(17)8-14(13)18/h2-9H,1H3
InChIKeyKLNSEROMEFIOLT-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.75
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one

1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one (PubChem CID 43232352) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
PubChem CID43232352
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
SMILESCC(Oc1ccc(F)cc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3O2/c1-9(20-12-5-2-10(16)3-6-12)15(19)13-7-4-11(17)8-14(13)18/h2-9H,1H3
InChIKeyKLNSEROMEFIOLT-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-1-(2,4-difluorophenyl)propan-1-one
CID 83136274
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43232316
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide
CID 108572727
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
1-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43413219
(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 65125998
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one (CID 43232352) is 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one is CC(Oc1ccc(F)cc1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one?
The InChIKey is KLNSEROMEFIOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-9(20-12-5-2-10(16)3-6-12)15(19)13-7-4-11(17)8-14(13)18/h2-9H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one?
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one has a molecular weight of 280.25 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one is sourced from PubChem (CID 43232352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).