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

C8H3F11O — CID 15579289

IUPAC3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene
SMILESCOC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F11O/c1-20-3-2(6(13,14)15)4(9,10)7(16,17)8(18,19)5(3,11)12/h1H3
InChIKeyBWQQKPLGJCZGLT-UHFFFAOYSA-N
MW324.09 g/mol
LogP4.00
Rot. Bonds1

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

3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene (PubChem CID 15579289) has the molecular formula C8H3F11O and a molecular weight of 324.09 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene
PubChem CID15579289
Molecular FormulaC8H3F11O
Molecular Weight324.09 g/mol
Exact Mass324.00
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene
SMILESCOC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F11O/c1-20-3-2(6(13,14)15)4(9,10)7(16,17)8(18,19)5(3,11)12/h1H3
InChIKeyBWQQKPLGJCZGLT-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene 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

1-Methoxyperfluoro-2-ethylcyclohexene
CID 13586991
3,3,4,5,5,6,6-Heptafluoro-1-methoxy-2,4-bis(trifluoromethyl)cyclohexene
CID 11187961
1,3,3,4,4,5,5,6,6-Nonafluoro-2-methoxycyclohexene
CID 12608876
3,3,4,4,5,5-Hexafluoro-1-methoxy-2-(trifluoromethyl)cyclopentene
CID 13586983
1-Methyl-2-(trifluoromethoxy)cyclohexene
CID 121263533
3,3,4,4,5,5-Hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 167433155
1-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
CID 167433160
1,3,3,4,4,5,5-Heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene
CID 10000896
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyheptane
CID 15210907

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene (CID 15579289) is 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene is COC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene?
The InChIKey is BWQQKPLGJCZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F11O/c1-20-3-2(6(13,14)15)4(9,10)7(16,17)8(18,19)5(3,11)12/h1H3.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene?
3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene has a molecular weight of 324.09 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 15579289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).