4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene

C10H5F15 — CID 141342952

IUPAC4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene
SMILESCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c1-2-3-4(11,12)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h2-3H,1H3
InChIKeyFZHLWEAQEXNJLF-UHFFFAOYSA-N
MW410.12 g/mol
LogP5.94
Rot. Bonds5

About 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene

4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene (PubChem CID 141342952) has the molecular formula C10H5F15 and a molecular weight of 410.12 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene
PubChem CID141342952
Molecular FormulaC10H5F15
Molecular Weight410.12 g/mol
Exact Mass410.02
IUPAC Name4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene
SMILESCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c1-2-3-4(11,12)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h2-3H,1H3
InChIKeyFZHLWEAQEXNJLF-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.12
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene with MolForge

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Related Compounds

(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
CID 5708696
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
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
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundec-2-ene
CID 54240412
(2E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodec-2-ene
CID 13299947
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 14043465
1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 53917581
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodec-2-ene
CID 86249479
8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 73089784
trans-4,4-Bis (trifluoromethyl)-5,5,6,6,7,7,7-heptafluoro-2-heptene
CID 23261337
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene (CID 141342952) is 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene is CC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene?
The InChIKey is FZHLWEAQEXNJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15/c1-2-3-4(11,12)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h2-3H,1H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene?
4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene has a molecular weight of 410.12 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)non-2-ene is sourced from PubChem (CID 141342952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).