1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene

C7F12 — CID 11023357

IUPAC1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7F12/c8-2-1(5(13,14)15)3(9,10)6(16,17)7(18,19)4(2,11)12
InChIKeyZVQUDYJCQHDMMN-UHFFFAOYSA-N
MW312.05 g/mol
LogP4.33
Rot. Bonds

About 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene

1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene (PubChem CID 11023357) has the molecular formula C7F12 and a molecular weight of 312.05 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene
PubChem CID11023357
Molecular FormulaC7F12
Molecular Weight312.05 g/mol
Exact Mass311.98
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7F12/c8-2-1(5(13,14)15)3(9,10)6(16,17)7(18,19)4(2,11)12
InChIKeyZVQUDYJCQHDMMN-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 54.33
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
Cyclohexene, 1-methylnonafluoro-
CID 69538
1,3,3,4,4,5,5-Heptafluoro-2-(trifluoromethyl)cyclopent-1-ene
CID 2774954
Cyclohexene, 1,3,3,4,4,5,5,6,6-nonafluoro-2-(pentafluoroethyl)-
CID 10926524
Perfluoro(1,2-dipropylcyclohexene)
CID 550354
3,3,4,4,5,5-Hexafluoro-1,2-bis(trifluoromethyl)cyclopent-1-ene
CID 13197615
3,3,4,4-Tetrafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)cyclobutene
CID 14547891
Perfluoro-2-methyl-3-propyl-2-pentene
CID 129812313
1,1,2,2,3,3,4,4,5,5,6,7,8,8-Tetradecafluoronaphthalene
CID 13226581
1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
CID 13696438
1,3,3,4,4,5,5,6,6-Nonafluoro-2-(fluoromethyl)cyclohex-1-ene
CID 13698610
1,3,3,4,4-Pentafluoro-2-(heptafluoropropyl)cyclobutene
CID 91695309

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene (CID 11023357) is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene is FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene?
The InChIKey is ZVQUDYJCQHDMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12/c8-2-1(5(13,14)15)3(9,10)6(16,17)7(18,19)4(2,11)12.
What are the key properties of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene?
1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene has a molecular weight of 312.05 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 11023357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).