1,1,1,3,3-pentafluorohex-5-en-2-one

C6H5F5O — CID 21062402

IUPAC1,1,1,3,3-pentafluorohex-5-en-2-one
SMILESC=CCC(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C6H5F5O/c1-2-3-5(7,8)4(12)6(9,10)11/h2H,1,3H2
InChIKeyFDBXIOJHBKTSPW-UHFFFAOYSA-N
MW188.09 g/mol
LogP2.33
Rot. Bonds3

About 1,1,1,3,3-pentafluorohex-5-en-2-one

1,1,1,3,3-pentafluorohex-5-en-2-one (PubChem CID 21062402) has the molecular formula C6H5F5O and a molecular weight of 188.09 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluorohex-5-en-2-one.

Molecular Properties

Compound Name1,1,1,3,3-pentafluorohex-5-en-2-one
PubChem CID21062402
Molecular FormulaC6H5F5O
Molecular Weight188.09 g/mol
Exact Mass188.03
IUPAC Name1,1,1,3,3-pentafluorohex-5-en-2-one
SMILESC=CCC(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C6H5F5O/c1-2-3-5(7,8)4(12)6(9,10)11/h2H,1,3H2
InChIKeyFDBXIOJHBKTSPW-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3-Heptafluorooct-7-en-4-one
CID 14112670
1,1,1,2,2-Pentafluorohept-6-en-3-one
CID 108095912
2,2-Difluoro-4-pentenoyl fluoride
CID 14597125
1,1,1,2,2,4,4-Heptafluorohept-6-en-3-one
CID 20083901
1,1,1-Trifluorohex-5-en-2-one
CID 20543323
(3-Allyl-)heptafluorobutan-2-one
CID 22074693
4,4-Difluorohex-5-ene-2,3-dione
CID 58275620
1,1,3,3-Tetrafluorohex-5-en-2-one
CID 58705068
5,5,5-Trifluoro-1-penten-4-one
CID 62962421
1,1,1-Trifluoro-6-hepten-2-one
CID 64316126
6,6,6-Trifluorohex-1-en-3-one
CID 71387447
2,3,3,5,5,6-Hexafluorohepta-1,6-dien-4-one
CID 87181987

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluorohex-5-en-2-one?
The IUPAC name of 1,1,1,3,3-pentafluorohex-5-en-2-one (CID 21062402) is 1,1,1,3,3-pentafluorohex-5-en-2-one.
What is the SMILES notation for 1,1,1,3,3-pentafluorohex-5-en-2-one?
The canonical SMILES for 1,1,1,3,3-pentafluorohex-5-en-2-one is C=CCC(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluorohex-5-en-2-one?
The InChIKey is FDBXIOJHBKTSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O/c1-2-3-5(7,8)4(12)6(9,10)11/h2H,1,3H2.
What are the key properties of 1,1,1,3,3-pentafluorohex-5-en-2-one?
1,1,1,3,3-pentafluorohex-5-en-2-one has a molecular weight of 188.09 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluorohex-5-en-2-one is sourced from PubChem (CID 21062402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).