(E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene

C12H15F9 — CID 14043465

IUPAC(E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene
SMILESCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h7-8H,2-6H2,1H3/b8-7+
InChIKeyIICPDVVTTGLPAT-BQYQJAHWSA-N
MW330.23 g/mol
LogP5.98
Rot. Bonds8

About (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene

(E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene (PubChem CID 14043465) has the molecular formula C12H15F9 and a molecular weight of 330.23 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene
PubChem CID14043465
Molecular FormulaC12H15F9
Molecular Weight330.23 g/mol
Exact Mass330.10
IUPAC Name(E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene
SMILESCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h7-8H,2-6H2,1H3/b8-7+
InChIKeyIICPDVVTTGLPAT-BQYQJAHWSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.23
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(perfluoro-n-hexyl)-1,2-ethylene
CID 5702909
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-Hexacosafluorotetradec-7-ene
CID 124330
(7E)-1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexadec-7-ene
CID 5708691
(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
CID 5708696
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 10864207
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexadec-7-ene
CID 2776160
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradec-7-ene
CID 2776180
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-nonene
CID 2776255
(7E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Heptadecafluorohexadec-7-ene
CID 12820302
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundec-2-ene
CID 54240412
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene?
The IUPAC name of (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene (CID 14043465) is (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene?
The canonical SMILES for (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene is CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene?
The InChIKey is IICPDVVTTGLPAT-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene?
(E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene has a molecular weight of 330.23 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene is sourced from PubChem (CID 14043465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).