3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene

C8F14 — CID 14249323

IUPAC3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene
SMILESFC(F)(F)C(F)(F)C1=C(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-3(10)1(5(13,14)7(17,18)19)2(4(3,11)12)6(15,16)8(20,21)22
InChIKeyLTDFGBMJTFQOOL-UHFFFAOYSA-N
MW362.06 g/mol
LogP4.96
Rot. Bonds2

About 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene

3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene (PubChem CID 14249323) has the molecular formula C8F14 and a molecular weight of 362.06 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene
PubChem CID14249323
Molecular FormulaC8F14
Molecular Weight362.06 g/mol
Exact Mass361.98
IUPAC Name3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene
SMILESFC(F)(F)C(F)(F)C1=C(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-3(10)1(5(13,14)7(17,18)19)2(4(3,11)12)6(15,16)8(20,21)22
InChIKeyLTDFGBMJTFQOOL-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.06
LogP ≤ 54.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The IUPAC name of 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene (CID 14249323) is 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene is FC(F)(F)C(F)(F)C1=C(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The InChIKey is LTDFGBMJTFQOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14/c9-3(10)1(5(13,14)7(17,18)19)2(4(3,11)12)6(15,16)8(20,21)22.
What are the key properties of 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene?
3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene has a molecular weight of 362.06 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1,2-bis(1,1,2,2,2-pentafluoroethyl)cyclobutene is sourced from PubChem (CID 14249323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).