5,5-difluoropentan-2-one

C5H8F2O — CID 79423708

IUPAC5,5-difluoropentan-2-one
SMILESCC(=O)CCC(F)F
InChIInChI=1S/C5H8F2O/c1-4(8)2-3-5(6)7/h5H,2-3H2,1H3
InChIKeyDQIKUJQMKMSQMO-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.62
Rot. Bonds3

About 5,5-difluoropentan-2-one

5,5-difluoropentan-2-one (PubChem CID 79423708) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 5,5-difluoropentan-2-one.

Molecular Properties

Compound Name5,5-difluoropentan-2-one
PubChem CID79423708
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name5,5-difluoropentan-2-one
SMILESCC(=O)CCC(F)F
InChIInChI=1S/C5H8F2O/c1-4(8)2-3-5(6)7/h5H,2-3H2,1H3
InChIKeyDQIKUJQMKMSQMO-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-2,4-pentanedione
CID 73943
4,4,4-Trifluorobutan-2-one
CID 539001
3,3,4,4,5,5,5-Heptafluoro-2-pentanone
CID 67728
1,1,1-Trifluorobutan-2-one
CID 238288
1,1-Difluoropentane-2,4-dione
CID 2778488
4,4,5,5,5-Pentafluoropentan-2-one
CID 11126794
5,5,5-Trifluoropentan-2-one
CID 20256699
1,1,1-Trifluoropentan-2-one
CID 238397
1,1,1-Trifluoroheptan-2-one
CID 13508559
1,1-Difluoro-2-hexanone
CID 21764785
1,1,1-Trifluoro-2-hexanone
CID 238292
3,3-Difluoropentane-2,4-dione
CID 12666451

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropentan-2-one?
The IUPAC name of 5,5-difluoropentan-2-one (CID 79423708) is 5,5-difluoropentan-2-one.
What is the SMILES notation for 5,5-difluoropentan-2-one?
The canonical SMILES for 5,5-difluoropentan-2-one is CC(=O)CCC(F)F.
What is the InChIKey of 5,5-difluoropentan-2-one?
The InChIKey is DQIKUJQMKMSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4(8)2-3-5(6)7/h5H,2-3H2,1H3.
What are the key properties of 5,5-difluoropentan-2-one?
5,5-difluoropentan-2-one has a molecular weight of 122.11 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropentan-2-one is sourced from PubChem (CID 79423708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).