3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene

C12F22 — CID 14007676

IUPAC3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
SMILESFC(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F22/c13-5(14)1(3(7(17,18)19,8(20,21)22)9(23,24)25)2(6(5,15)16)4(10(26,27)28,11(29,30)31)12(32,33)34
InChIKeyLWYFADRQHHCLJO-UHFFFAOYSA-N
MW562.09 g/mol
LogP7.91
Rot. Bonds2

About 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene

3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene (PubChem CID 14007676) has the molecular formula C12F22 and a molecular weight of 562.09 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
PubChem CID14007676
Molecular FormulaC12F22
Molecular Weight562.09 g/mol
Exact Mass561.96
IUPAC Name3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
SMILESFC(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F22/c13-5(14)1(3(7(17,18)19,8(20,21)22)9(23,24)25)2(6(5,15)16)4(10(26,27)28,11(29,30)31)12(32,33)34
InChIKeyLWYFADRQHHCLJO-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.09
LogP ≤ 57.91
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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The IUPAC name of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene (CID 14007676) is 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene is FC(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
The InChIKey is LWYFADRQHHCLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22/c13-5(14)1(3(7(17,18)19,8(20,21)22)9(23,24)25)2(6(5,15)16)4(10(26,27)28,11(29,30)31)12(32,33)34.
What are the key properties of 3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene?
3,3,4,4-tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene has a molecular weight of 562.09 g/mol, XLogP of 7.91, 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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene is sourced from PubChem (CID 14007676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).