3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene

C16F30 — CID 155681383

IUPAC3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C16F30/c17-3(13(35,36)37,7(23,24)11(31,32)15(41,42)43)1-2(6(21,22)10(29,30)9(27,28)5(1,19)20)4(18,14(38,39)40)8(25,26)12(33,34)16(44,45)46
InChIKeyHYRUIQHOMCNICU-UHFFFAOYSA-N
MW762.12 g/mol
LogP10.04
Rot. Bonds6

About 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene

3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene (PubChem CID 155681383) has the molecular formula C16F30 and a molecular weight of 762.12 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene
PubChem CID155681383
Molecular FormulaC16F30
Molecular Weight762.12 g/mol
Exact Mass761.95
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C16F30/c17-3(13(35,36)37,7(23,24)11(31,32)15(41,42)43)1-2(6(21,22)10(29,30)9(27,28)5(1,19)20)4(18,14(38,39)40)8(25,26)12(33,34)16(44,45)46
InChIKeyHYRUIQHOMCNICU-UHFFFAOYSA-N
XLogP10.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.12
LogP ≤ 510.04
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 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene (CID 155681383) is 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene is FC(F)(F)C(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
The InChIKey is HYRUIQHOMCNICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F30/c17-3(13(35,36)37,7(23,24)11(31,32)15(41,42)43)1-2(6(21,22)10(29,30)9(27,28)5(1,19)20)4(18,14(38,39)40)8(25,26)12(33,34)16(44,45)46.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene has a molecular weight of 762.12 g/mol, XLogP of 10.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene is sourced from PubChem (CID 155681383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).