1-(2,3-difluorophenyl)ethanone

C8H6F2O — CID 519550

IUPAC1-(2,3-difluorophenyl)ethanone
SMILESCC(=O)c1cccc(F)c1F
InChIInChI=1S/C8H6F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
InChIKeyPQUXFUBNSYCQAL-UHFFFAOYSA-N
MW156.13 g/mol
LogP2.17
Rot. Bonds1

About 1-(2,3-difluorophenyl)ethanone

1-(2,3-difluorophenyl)ethanone (PubChem CID 519550) has the molecular formula C8H6F2O and a molecular weight of 156.13 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)ethanone
PubChem CID519550
Molecular FormulaC8H6F2O
Molecular Weight156.13 g/mol
Exact Mass156.04
IUPAC Name1-(2,3-difluorophenyl)ethanone
SMILESCC(=O)c1cccc(F)c1F
InChIInChI=1S/C8H6F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
InChIKeyPQUXFUBNSYCQAL-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-(2,3-difluorophenyl)ethanone (CID 519550) is 1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-(2,3-difluorophenyl)ethanone is CC(=O)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)ethanone?
The InChIKey is PQUXFUBNSYCQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3.
What are the key properties of 1-(2,3-difluorophenyl)ethanone?
1-(2,3-difluorophenyl)ethanone has a molecular weight of 156.13 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 519550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).