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

C10HF17O — CID 167433161

IUPAC3,3,4,4-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene
SMILESFC(F)(F)C(OC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10HF17O/c11-4(9(22,23)24,10(25,26)27)1-2(6(14,15)5(1,12)13)28-3(7(16,17)18)8(19,20)21/h3H
InChIKeyNHQKEBHDEJEULO-UHFFFAOYSA-N
MW460.08 g/mol
LogP5.87
Rot. Bonds3

About 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

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 (PubChem CID 167433161) has the molecular formula C10HF17O and a molecular weight of 460.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene
PubChem CID167433161
Molecular FormulaC10HF17O
Molecular Weight460.08 g/mol
Exact Mass459.98
IUPAC Name3,3,4,4-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene
SMILESFC(F)(F)C(OC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10HF17O/c11-4(9(22,23)24,10(25,26)27)1-2(6(14,15)5(1,12)13)28-3(7(16,17)18)8(19,20)21/h3H
InChIKeyNHQKEBHDEJEULO-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.08
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3,3,4,4-Tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene
CID 172509424
1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene
CID 15210909

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C(OC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is NHQKEBHDEJEULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF17O/c11-4(9(22,23)24,10(25,26)27)1-2(6(14,15)5(1,12)13)28-3(7(16,17)18)8(19,20)21/h3H.
What are the key properties of 3,3,4,4-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene?
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 has a molecular weight of 460.08 g/mol, XLogP of 5.87, 3 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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene is sourced from PubChem (CID 167433161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).