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

C8HF13 — CID 11336861

IUPAC1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1C(F)(F)F
InChIInChI=1S/C8HF13/c9-1-2(6(14,15)16)4(10,11)8(20,21)5(12,13)3(1)7(17,18)19/h2H
InChIKeyVATUYHRJXKNOLU-UHFFFAOYSA-N
MW344.07 g/mol
LogP4.87
Rot. Bonds

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

1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene (PubChem CID 11336861) has the molecular formula C8HF13 and a molecular weight of 344.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene
PubChem CID11336861
Molecular FormulaC8HF13
Molecular Weight344.07 g/mol
Exact Mass343.99
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1C(F)(F)F
InChIInChI=1S/C8HF13/c9-1-2(6(14,15)16)4(10,11)8(20,21)5(12,13)3(1)7(17,18)19/h2H
InChIKeyVATUYHRJXKNOLU-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 54.87
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

1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
CID 12563819
1,4,5,5-Tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-bis(trifluoromethyl)cyclopentene
CID 134879577
6-(1,1,1,2,2,4,4,5,5,5-Decafluoropentan-3-ylidene)-1,1,2,2,3,3,4,5,5-nonafluoro-4-(fluoromethyl)cyclohexane
CID 17960238
1,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-bis(trifluoromethyl)cyclobutene
CID 57185538
(3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene
CID 89392791
5-Methylidene-1,3-bis(trifluoromethyl)cyclohexene
CID 90772961
2,3,5,6-Tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 131983393
2-Fluoro-4-methyl-1-(trifluoromethyl)cyclohexene
CID 146937347
(E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene
CID 155402389
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
CID 155681395
1,3,3,4,4,5,5-Heptafluoro-2-propan-2-ylcyclopentene
CID 170031363
1,3,3,4,4,5,5-Heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene
CID 175474450

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene (CID 11336861) is 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene is FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1C(F)(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene?
The InChIKey is VATUYHRJXKNOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF13/c9-1-2(6(14,15)16)4(10,11)8(20,21)5(12,13)3(1)7(17,18)19/h2H.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene?
1,3,3,4,4,5,5-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene has a molecular weight of 344.07 g/mol, XLogP of 4.87, 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-heptafluoro-2,6-bis(trifluoromethyl)cyclohexene is sourced from PubChem (CID 11336861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).