5,5-difluoropent-4-en-2-one

C5H6F2O — CID 139408677

IUPAC5,5-difluoropent-4-en-2-one
SMILESCC(=O)CC=C(F)F
InChIInChI=1S/C5H6F2O/c1-4(8)2-3-5(6)7/h3H,2H2,1H3
InChIKeyVZSRVTSGLSJWCZ-UHFFFAOYSA-N
MW120.10 g/mol
LogP1.75
Rot. Bonds2

About 5,5-difluoropent-4-en-2-one

5,5-difluoropent-4-en-2-one (PubChem CID 139408677) has the molecular formula C5H6F2O and a molecular weight of 120.10 g/mol. Its IUPAC name is 5,5-difluoropent-4-en-2-one.

Molecular Properties

Compound Name5,5-difluoropent-4-en-2-one
PubChem CID139408677
Molecular FormulaC5H6F2O
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name5,5-difluoropent-4-en-2-one
SMILESCC(=O)CC=C(F)F
InChIInChI=1S/C5H6F2O/c1-4(8)2-3-5(6)7/h3H,2H2,1H3
InChIKeyVZSRVTSGLSJWCZ-UHFFFAOYSA-N
XLogP1.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-Trifluoropent-1-en-3-one
CID 12622108
1,1,2-Trifluoropent-1-en-3-one
CID 13697368
5,6,6-Trifluorohex-5-en-2-one
CID 10964690
6,6-Difluorohex-5-en-2-one
CID 45085439
4,4-Difluorohexa-1,5-dien-3-one
CID 54144679
4,4-Difluorohex-5-ene-2,3-dione
CID 58275620
4,5,5-Trifluoropent-4-en-2-one
CID 58818971
5,5,5-Trifluoro-1-penten-4-one
CID 62962421
2,3,3,5,5,6-Hexafluorohepta-1,6-dien-4-one
CID 87181987
1,1,3,5,7,7-Hexafluorohepta-1,6-dien-4-one
CID 87181989
3,5,5-Trifluoropent-4-en-2-one
CID 87494793
(E)-5-fluoropent-4-en-2-one
CID 87633698

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropent-4-en-2-one?
The IUPAC name of 5,5-difluoropent-4-en-2-one (CID 139408677) is 5,5-difluoropent-4-en-2-one.
What is the SMILES notation for 5,5-difluoropent-4-en-2-one?
The canonical SMILES for 5,5-difluoropent-4-en-2-one is CC(=O)CC=C(F)F.
What is the InChIKey of 5,5-difluoropent-4-en-2-one?
The InChIKey is VZSRVTSGLSJWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O/c1-4(8)2-3-5(6)7/h3H,2H2,1H3.
What are the key properties of 5,5-difluoropent-4-en-2-one?
5,5-difluoropent-4-en-2-one has a molecular weight of 120.10 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropent-4-en-2-one is sourced from PubChem (CID 139408677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).