3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

C11HF19O — CID 167433157

IUPAC3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11HF19O/c12-4(10(25,26)27,11(28,29)30)1-2(6(15,16)9(23,24)5(1,13)14)31-3(7(17,18)19)8(20,21)22/h3H
InChIKeyFHARJMBHKHMDJZ-UHFFFAOYSA-N
MW510.09 g/mol
LogP6.50
Rot. Bonds3

About 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene

3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (PubChem CID 167433157) has the molecular formula C11HF19O and a molecular weight of 510.09 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
PubChem CID167433157
Molecular FormulaC11HF19O
Molecular Weight510.09 g/mol
Exact Mass509.97
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
SMILESFC(F)(F)C(OC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11HF19O/c12-4(10(25,26)27,11(28,29)30)1-2(6(15,16)9(23,24)5(1,13)14)31-3(7(17,18)19)8(20,21)22/h3H
InChIKeyFHARJMBHKHMDJZ-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.09
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene with MolForge

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Related Compounds

3,3,4,4,5,5-Hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 167433155
1-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
CID 167433160
3,3,4,4,5,5,6,6-Octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexene
CID 167433162
3,3,4,4,5,5,6,6-Octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)cyclohexene
CID 175369020
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyheptane
CID 15210907

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene (CID 167433157) is 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is FC(F)(F)C(OC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
The InChIKey is FHARJMBHKHMDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HF19O/c12-4(10(25,26)27,11(28,29)30)1-2(6(15,16)9(23,24)5(1,13)14)31-3(7(17,18)19)8(20,21)22/h3H.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene?
3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene has a molecular weight of 510.09 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene is sourced from PubChem (CID 167433157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).