2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone

C8H2F6O — CID 130920299

IUPAC2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
SMILESO=C(c1cc(F)c(F)c(F)c1F)C(F)F
InChIInChI=1S/C8H2F6O/c9-3-1-2(7(15)8(13)14)4(10)6(12)5(3)11/h1,8H
InChIKeyIBMNAATYSIJOSY-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.69
Rot. Bonds2

About 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone

2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone (PubChem CID 130920299) has the molecular formula C8H2F6O and a molecular weight of 228.09 g/mol. Its IUPAC name is 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
PubChem CID130920299
Molecular FormulaC8H2F6O
Molecular Weight228.09 g/mol
Exact Mass228.00
IUPAC Name2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
SMILESO=C(c1cc(F)c(F)c(F)c1F)C(F)F
InChIInChI=1S/C8H2F6O/c9-3-1-2(7(15)8(13)14)4(10)6(12)5(3)11/h1,8H
InChIKeyIBMNAATYSIJOSY-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone (CID 130920299) is 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone is O=C(c1cc(F)c(F)c(F)c1F)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone?
The InChIKey is IBMNAATYSIJOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6O/c9-3-1-2(7(15)8(13)14)4(10)6(12)5(3)11/h1,8H.
What are the key properties of 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone?
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone has a molecular weight of 228.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone is sourced from PubChem (CID 130920299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).