1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one

C13H10F2O2 — CID 105095139

IUPAC1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H10F2O2/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-2,5-8H,3-4H2
InChIKeyKMQHFNZHWFAYEQ-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.37
Rot. Bonds4

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

1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 105095139) has the molecular formula C13H10F2O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
PubChem CID105095139
Molecular FormulaC13H10F2O2
Molecular Weight236.22 g/mol
Exact Mass236.06
IUPAC Name1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H10F2O2/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-2,5-8H,3-4H2
InChIKeyKMQHFNZHWFAYEQ-UHFFFAOYSA-N
XLogP3.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105095849
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105396704
1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105124464
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
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3-(furan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 105098497
1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105116425
3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097418
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
1-(4-fluorophenyl)-3-(furan-2-ylmethylamino)propan-1-one
CID 94266793
1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
CID 105131499
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one (CID 105095139) is 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is KMQHFNZHWFAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-2,5-8H,3-4H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one?
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 236.22 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105095139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).