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

C13H10F2O2 — CID 114963994

IUPAC2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)ccc2F)o1
InChIInChI=1S/C13H10F2O2/c1-8-2-5-13(17-8)12(16)7-9-6-10(14)3-4-11(9)15/h2-6H,7H2,1H3
InChIKeyOMRCQVJIOWJFFI-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.29
Rot. Bonds3

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

2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone (PubChem CID 114963994) has the molecular formula C13H10F2O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
PubChem CID114963994
Molecular FormulaC13H10F2O2
Molecular Weight236.22 g/mol
Exact Mass236.06
IUPAC Name2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)ccc2F)o1
InChIInChI=1S/C13H10F2O2/c1-8-2-5-13(17-8)12(16)7-9-6-10(14)3-4-11(9)15/h2-6H,7H2,1H3
InChIKeyOMRCQVJIOWJFFI-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-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 115815694
2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
CID 61054883
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63556118
1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114964013
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(2,5-difluorophenyl)acetate
CID 6951702

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone (CID 114963994) is 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone is Cc1ccc(C(=O)Cc2cc(F)ccc2F)o1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
The InChIKey is OMRCQVJIOWJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2/c1-8-2-5-13(17-8)12(16)7-9-6-10(14)3-4-11(9)15/h2-6H,7H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
2-(2,5-difluorophenyl)-1-(5-methylfuran-2-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-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 114963994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).