(E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one

C9H10F6O — CID 134861059

IUPAC(E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one
SMILESO=C(C/C=C/CC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C9H10F6O/c10-8(11,12)5-2-1-3-7(16)4-6-9(13,14)15/h1-2H,3-6H2/b2-1+
InChIKeyADQKDFPUIVORFY-OWOJBTEDSA-N
MW248.17 g/mol
LogP3.80
Rot. Bonds5

About (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one

(E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one (PubChem CID 134861059) has the molecular formula C9H10F6O and a molecular weight of 248.17 g/mol. Its IUPAC name is (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one.

Molecular Properties

Compound Name(E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one
PubChem CID134861059
Molecular FormulaC9H10F6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name(E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one
SMILESO=C(C/C=C/CC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C9H10F6O/c10-8(11,12)5-2-1-3-7(16)4-6-9(13,14)15/h1-2H,3-6H2/b2-1+
InChIKeyADQKDFPUIVORFY-OWOJBTEDSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.80
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

(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one
CID 5280436
3,3-Difluoro-6-Methyl-5-Hepten-2-One
CID 11829749
1,1,1-Trifluoro-2-heneicosa-6,9,12,15-tetraenone
CID 2224
(6E,9E,12E,15E)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
CID 5353415
1,1,1,2,2,3,3-Heptafluorooct-7-en-4-one
CID 14112670
21,21,21-Trifluorohenicosa-6,9,12,15-tetraen-2-one
CID 91156440
1,1,1,2,2-Pentafluorohept-6-en-3-one
CID 108095912
(5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one
CID 10500003
1,1-Difluoro-6-methylhept-5-en-2-one
CID 21733040
(6Z,9Z,12Z,15Z,18Z)-1,1,1-trifluorohenicosa-6,9,12,15,18-pentaen-2-one
CID 10309001
(E)-1,1,1-trifluorooct-4-en-2-one
CID 12159887
1,1,1,2,2,4,4-Heptafluorohept-6-en-3-one
CID 20083901

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one?
The IUPAC name of (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one (CID 134861059) is (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one.
What is the SMILES notation for (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one?
The canonical SMILES for (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one is O=C(C/C=C/CC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one?
The InChIKey is ADQKDFPUIVORFY-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H10F6O/c10-8(11,12)5-2-1-3-7(16)4-6-9(13,14)15/h1-2H,3-6H2/b2-1+.
What are the key properties of (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one?
(E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one has a molecular weight of 248.17 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,9,9,9-hexafluoronon-6-en-4-one is sourced from PubChem (CID 134861059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).