2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone

C13H10F2O2 — CID 105412231

IUPAC2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cc(F)cc(F)c2)co1
InChIInChI=1S/C13H10F2O2/c1-8-2-10(7-17-8)13(16)5-9-3-11(14)6-12(15)4-9/h2-4,6-7H,5H2,1H3
InChIKeyREDQDZPFXBQXQZ-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.29
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone

2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone (PubChem CID 105412231) has the molecular formula C13H10F2O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
PubChem CID105412231
Molecular FormulaC13H10F2O2
Molecular Weight236.22 g/mol
Exact Mass236.06
IUPAC Name2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cc(F)cc(F)c2)co1
InChIInChI=1S/C13H10F2O2/c1-8-2-10(7-17-8)13(16)5-9-3-11(14)6-12(15)4-9/h2-4,6-7H,5H2,1H3
InChIKeyREDQDZPFXBQXQZ-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
1-(5-methylfuran-3-yl)-3-methylsulfanylpropan-1-one
CID 114821180
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 115797460
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-(5-methylfuran-3-yl)hexan-1-one
CID 114966950
2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 18386065
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone (CID 105412231) is 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone is Cc1cc(C(=O)Cc2cc(F)cc(F)c2)co1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The InChIKey is REDQDZPFXBQXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2/c1-8-2-10(7-17-8)13(16)5-9-3-11(14)6-12(15)4-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone?
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone has a molecular weight of 236.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone is sourced from PubChem (CID 105412231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).