1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene

C9F16 — CID 155681390

IUPAC1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C9F16/c10-2-1(4(12,13)5(2,14)15)3(11,8(20,21)22)6(16,17)7(18,19)9(23,24)25
InChIKeyFWSQCMFVJZIIHI-UHFFFAOYSA-N
MW412.07 g/mol
LogP5.60
Rot. Bonds3

About 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene

1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene (PubChem CID 155681390) has the molecular formula C9F16 and a molecular weight of 412.07 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
PubChem CID155681390
Molecular FormulaC9F16
Molecular Weight412.07 g/mol
Exact Mass411.97
IUPAC Name1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C9F16/c10-2-1(4(12,13)5(2,14)15)3(11,8(20,21)22)6(16,17)7(18,19)9(23,24)25
InChIKeyFWSQCMFVJZIIHI-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.07
LogP ≤ 55.60
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

3,3,4,4,5,5-Hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 12563818
1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
CID 12563819
3,3,4-Trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene
CID 12708034
1,1,1,4,4,5,5,6,7,8,8,8-Dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene
CID 12710298
3,3,4,4-Tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene
CID 14249323
Perfluorooctyl-5-methyl-hex-2-ene
CID 129829873
1-[1,1,1,3,3,4,4,5,5,5-Decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
CID 12563822
3,4-Difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene
CID 12708028
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
CID 12708036
1,3,3,4,4,5,6,6-Octafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695374
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
2,3,3,4,4-Pentafluoro-1-(heptafluorocyclobutyl)cyclobutene
CID 12525334

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene (CID 155681390) is 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene is FC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
The InChIKey is FWSQCMFVJZIIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F16/c10-2-1(4(12,13)5(2,14)15)3(11,8(20,21)22)6(16,17)7(18,19)9(23,24)25.
What are the key properties of 1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene?
1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene has a molecular weight of 412.07 g/mol, XLogP of 5.60, 3 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-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene is sourced from PubChem (CID 155681390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).