1-(3,5-difluorophenyl)-2,2-difluoroethanone

C8H4F4O — CID 91636131

IUPAC1-(3,5-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1cc(F)cc(F)c1)C(F)F
InChIInChI=1S/C8H4F4O/c9-5-1-4(2-6(10)3-5)7(13)8(11)12/h1-3,8H
InChIKeyQPYPXOQLPRCLGP-UHFFFAOYSA-N
MW192.11 g/mol
LogP2.41
Rot. Bonds2

About 1-(3,5-difluorophenyl)-2,2-difluoroethanone

1-(3,5-difluorophenyl)-2,2-difluoroethanone (PubChem CID 91636131) has the molecular formula C8H4F4O and a molecular weight of 192.11 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2,2-difluoroethanone
PubChem CID91636131
Molecular FormulaC8H4F4O
Molecular Weight192.11 g/mol
Exact Mass192.02
IUPAC Name1-(3,5-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1cc(F)cc(F)c1)C(F)F
InChIInChI=1S/C8H4F4O/c9-5-1-4(2-6(10)3-5)7(13)8(11)12/h1-3,8H
InChIKeyQPYPXOQLPRCLGP-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
CID 126972003
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
1-(3,5-dimethylphenyl)-2,2-difluoroethanone
CID 91636254
bis(3,5-difluorophenyl)methanone
CID 2760569
2,3-dibromo-1-(3,5-difluorophenyl)propan-1-one
CID 130757472
2-amino-1-(3,5-difluorophenyl)-3,3-dimethylbutan-1-one
CID 116611562
1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
2-amino-1-(3,5-difluorophenyl)pent-4-en-1-one
CID 116607060
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
ethyl 4-(3,5-difluorophenyl)-3-methyl-4-oxobutanoate
CID 170345680
2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone
CID 90344479

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(3,5-difluorophenyl)-2,2-difluoroethanone (CID 91636131) is 1-(3,5-difluorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(3,5-difluorophenyl)-2,2-difluoroethanone is O=C(c1cc(F)cc(F)c1)C(F)F.
What is the InChIKey of 1-(3,5-difluorophenyl)-2,2-difluoroethanone?
The InChIKey is QPYPXOQLPRCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O/c9-5-1-4(2-6(10)3-5)7(13)8(11)12/h1-3,8H.
What are the key properties of 1-(3,5-difluorophenyl)-2,2-difluoroethanone?
1-(3,5-difluorophenyl)-2,2-difluoroethanone has a molecular weight of 192.11 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 91636131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).