4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene

C9H3F13 — CID 11337264

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene
SMILESC=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1H2
InChIKeyMBAPSBNCXPNDLS-UHFFFAOYSA-N
MW358.10 g/mol
LogP5.07
Rot. Bonds5

About 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene (PubChem CID 11337264) has the molecular formula C9H3F13 and a molecular weight of 358.10 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene
PubChem CID11337264
Molecular FormulaC9H3F13
Molecular Weight358.10 g/mol
Exact Mass358.00
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene
SMILESC=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1H2
InChIKeyMBAPSBNCXPNDLS-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.10
LogP ≤ 55.07
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

1H,1H,2H-Perfluoro-1-decene
CID 88990
(Perfluorohexyl)ethylene
CID 91384
Dodecafluoro-1,9-decadiene
CID 102163
3,3,4,4,5,5,6,6-Octafluoroocta-1,7-diene
CID 69620
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecene
CID 121692
(Perfluoroheptyl)ethene
CID 117482
1,8-Divinylperfluorooctane
CID 2737145
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradec-1-ene
CID 2782411
4,4,5,5,6,6,7,7,7-Nonafluorohepta-1,2-diene
CID 14816571
3,3,4,4,5,5,6,6,7,7,7-Undecafluorohept-1-ene
CID 3019664
1H-Perfluoro-1-heptene
CID 11647677
1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
CID 12824723

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene (CID 11337264) is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene is C=C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene?
The InChIKey is MBAPSBNCXPNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene?
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene has a molecular weight of 358.10 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronona-1,2-diene is sourced from PubChem (CID 11337264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).