1-(4-ethenyl-2,5-difluorophenyl)ethanone

C10H8F2O — CID 142110375

IUPAC1-(4-ethenyl-2,5-difluorophenyl)ethanone
SMILESC=Cc1cc(F)c(C(C)=O)cc1F
InChIInChI=1S/C10H8F2O/c1-3-7-4-10(12)8(6(2)13)5-9(7)11/h3-5H,1H2,2H3
InChIKeyBSSILCHOTXXWEH-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.81
Rot. Bonds2

About 1-(4-ethenyl-2,5-difluorophenyl)ethanone

1-(4-ethenyl-2,5-difluorophenyl)ethanone (PubChem CID 142110375) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(4-ethenyl-2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethenyl-2,5-difluorophenyl)ethanone
PubChem CID142110375
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name1-(4-ethenyl-2,5-difluorophenyl)ethanone
SMILESC=Cc1cc(F)c(C(C)=O)cc1F
InChIInChI=1S/C10H8F2O/c1-3-7-4-10(12)8(6(2)13)5-9(7)11/h3-5H,1H2,2H3
InChIKeyBSSILCHOTXXWEH-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2,4-difluoro-5-methoxyphenyl)ethanone
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1-(2-fluoro-4-iodo-5-methylphenyl)ethanone
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CID 164882761
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S-[4-(5-acetyl-2,4-difluorophenyl)but-3-enyl] ethanethioate
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-2,5-difluorophenyl)ethanone?
The IUPAC name of 1-(4-ethenyl-2,5-difluorophenyl)ethanone (CID 142110375) is 1-(4-ethenyl-2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4-ethenyl-2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(4-ethenyl-2,5-difluorophenyl)ethanone is C=Cc1cc(F)c(C(C)=O)cc1F.
What is the InChIKey of 1-(4-ethenyl-2,5-difluorophenyl)ethanone?
The InChIKey is BSSILCHOTXXWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c1-3-7-4-10(12)8(6(2)13)5-9(7)11/h3-5H,1H2,2H3.
What are the key properties of 1-(4-ethenyl-2,5-difluorophenyl)ethanone?
1-(4-ethenyl-2,5-difluorophenyl)ethanone has a molecular weight of 182.17 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2,5-difluorophenyl)ethanone is sourced from PubChem (CID 142110375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).