3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene

C8F14 — CID 12708028

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

About 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene

3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene (PubChem CID 12708028) has the molecular formula C8F14 and a molecular weight of 362.06 g/mol. Its IUPAC name is 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene
PubChem CID12708028
Molecular FormulaC8F14
Molecular Weight362.06 g/mol
Exact Mass361.98
IUPAC Name3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(C(F)(F)F)C1(F)C(F)(F)F
InChIInChI=1S/C8F14/c9-3(7(17,18)19)1(5(11,12)13)2(6(14,15)16)4(3,10)8(20,21)22
InChIKeyLLUWMRNAOVHUOV-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene?
The IUPAC name of 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene (CID 12708028) is 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene.
What is the SMILES notation for 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene?
The canonical SMILES for 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(C(F)(F)F)C(F)(C(F)(F)F)C1(F)C(F)(F)F.
What is the InChIKey of 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene?
The InChIKey is LLUWMRNAOVHUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14/c9-3(7(17,18)19)1(5(11,12)13)2(6(14,15)16)4(3,10)8(20,21)22.
What are the key properties of 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene?
3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene has a molecular weight of 362.06 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1,2,3,4-tetrakis(trifluoromethyl)cyclobutene is sourced from PubChem (CID 12708028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).