1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene

C14F22 — CID 12563814

IUPAC1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene
SMILESFC1=C(C2(C3(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14F22/c15-2-1(4(16,17)9(25,26)10(27,28)5(2,18)19)3(7(21,22)13(33,34)8(3,23)24)6(20)11(29,30)14(35,36)12(6,31)32
InChIKeyWKQADFLEGWWOQQ-UHFFFAOYSA-N
MW586.11 g/mol
LogP7.30
Rot. Bonds2

About 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene

1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene (PubChem CID 12563814) has the molecular formula C14F22 and a molecular weight of 586.11 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene
PubChem CID12563814
Molecular FormulaC14F22
Molecular Weight586.11 g/mol
Exact Mass585.96
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene
SMILESFC1=C(C2(C3(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14F22/c15-2-1(4(16,17)9(25,26)10(27,28)5(2,18)19)3(7(21,22)13(33,34)8(3,23)24)6(20)11(29,30)14(35,36)12(6,31)32
InChIKeyWKQADFLEGWWOQQ-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.11
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]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

Perfluorohexamethyl dewar benzene
CID 141008
1,3,3,4,4-Pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
CID 12563821
1,2,3,4,5,6,7,8-Octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene
CID 134977949
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
1,3,3,4,4,5,6,6-Octafluoro-2-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695339
1,1,2,2,3,3,4-Heptafluoro-4-[3,3,4,4-tetrafluoro-2-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobuten-1-yl]cyclobutane
CID 12525332
1,3,3,4,4,5,6,6-Octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexene
CID 44476393
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene
CID 155681371
1,3,3,4,4-Pentafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene
CID 155681380
1,3,3,4,4-Pentafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene
CID 155681385
1,3,3,4,4,5,5,6,6-Nonafluoro-2-[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclohexene
CID 155681401
1,3,3,4,4,5,5,6,6-Nonafluoro-2-[1,1,1,3,4,4,5,5,5-nonafluoro-2,3-bis(trifluoromethyl)pentan-2-yl]cyclohexene
CID 155681403

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene (CID 12563814) is 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene is FC1=C(C2(C3(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C2(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-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene?
The InChIKey is WKQADFLEGWWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F22/c15-2-1(4(16,17)9(25,26)10(27,28)5(2,18)19)3(7(21,22)13(33,34)8(3,23)24)6(20)11(29,30)14(35,36)12(6,31)32.
What are the key properties of 1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene?
1,3,3,4,4,5,5,6,6-nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene has a molecular weight of 586.11 g/mol, XLogP of 7.30, 2 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-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene is sourced from PubChem (CID 12563814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).