(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene

C9F18 — CID 12504443

IUPAC(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-1(2(11)4(14,15)16)3(12,13)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27/b2-1+
InChIKeyODJJZSHROQEZQS-OWOJBTEDSA-N
MW450.06 g/mol
LogP6.44
Rot. Bonds5

About (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene

(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene (PubChem CID 12504443) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene
PubChem CID12504443
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-1(2(11)4(14,15)16)3(12,13)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27/b2-1+
InChIKeyODJJZSHROQEZQS-OWOJBTEDSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.06
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,3,4,4,5,5,6,6-Decafluorocyclohex-1-ene
CID 67738
(2E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-Hexadecafluorooct-2-ene
CID 2782410
(2E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-Tetradecafluorohept-2-ene
CID 2778718
Perfluorooct-1-ene
CID 2782409
1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-Hexadecafluorooct-2-ene
CID 3673663
1,1,1,2,3,4,4,5,5,6,6,7,7,7-Tetradecafluorohept-2-ene
CID 53395405
Dodecafluorocycloheptene
CID 12856909
Perfluorododecadiene
CID 129678931
(Z)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene
CID 23235203
Perfluoro-2,6-octadiene
CID 85599034
Perfluoro-2-methyl-3-propyl-2-pentene
CID 129812313
Perfluorooctyl-5-methyl-hex-2-ene
CID 129829873

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene?
The IUPAC name of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene (CID 12504443) is (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene.
What is the SMILES notation for (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene?
The canonical SMILES for (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene is F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene?
The InChIKey is ODJJZSHROQEZQS-OWOJBTEDSA-N. The full InChI is InChI=1S/C9F18/c10-1(2(11)4(14,15)16)3(12,13)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27/b2-1+.
What are the key properties of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene?
(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene has a molecular weight of 450.06 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-2-ene is sourced from PubChem (CID 12504443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).