3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene

C8HF13O — CID 172509424

IUPAC3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF13O/c9-4(10)1(6(13,14)15)2(5(4,11)12)22-3(7(16,17)18)8(19,20)21/h3H
InChIKeyLAVJYVVFMLJCHQ-UHFFFAOYSA-N
MW360.07 g/mol
LogP4.60
Rot. Bonds2

About 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene

3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene (PubChem CID 172509424) has the molecular formula C8HF13O and a molecular weight of 360.07 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene
PubChem CID172509424
Molecular FormulaC8HF13O
Molecular Weight360.07 g/mol
Exact Mass359.98
IUPAC Name3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF13O/c9-4(10)1(6(13,14)15)2(5(4,11)12)22-3(7(16,17)18)8(19,20)21/h3H
InChIKeyLAVJYVVFMLJCHQ-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.07
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,3,3-tetrafluoropropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513424
(E)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614750
1,3,3,4,4,5,5-Heptafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 155670599
3-(2,2-Difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 156773725
3,3,4,4-Tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene
CID 167433161
1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene
CID 170693713
1,1,1,4,4,5,5,5-Octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene
CID 170698893
1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene
CID 170698896
1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-Pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 173511288
1,3,3,4,4-Pentafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 175337724
1,3,3,4,4,5-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 175337754
3-(1,2-Difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 175359702

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene?
The IUPAC name of 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene (CID 172509424) is 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene?
The InChIKey is LAVJYVVFMLJCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF13O/c9-4(10)1(6(13,14)15)2(5(4,11)12)22-3(7(16,17)18)8(19,20)21/h3H.
What are the key properties of 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene?
3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene has a molecular weight of 360.07 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene is sourced from PubChem (CID 172509424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).