1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene

C10H3ClF14O — CID 10906316

IUPAC1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H3ClF14O/c11-2-3(7(18,19)10(24,25)6(2,16)17)26-1-5(14,15)9(22,23)8(20,21)4(12)13/h4H,1H2
InChIKeyXKOZSKMBXYDNHL-UHFFFAOYSA-N
MW440.56 g/mol
LogP5.54
Rot. Bonds6

About 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene

1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene (PubChem CID 10906316) has the molecular formula C10H3ClF14O and a molecular weight of 440.56 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene.

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene
PubChem CID10906316
Molecular FormulaC10H3ClF14O
Molecular Weight440.56 g/mol
Exact Mass439.96
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H3ClF14O/c11-2-3(7(18,19)10(24,25)6(2,16)17)26-1-5(14,15)9(22,23)8(20,21)4(12)13/h4H,1H2
InChIKeyXKOZSKMBXYDNHL-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene (CID 10906316) is 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene.
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene is FC(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(Cl)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene?
The InChIKey is XKOZSKMBXYDNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF14O/c11-2-3(7(18,19)10(24,25)6(2,16)17)26-1-5(14,15)9(22,23)8(20,21)4(12)13/h4H,1H2.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene?
1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene has a molecular weight of 440.56 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4,4,5,5-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)cyclopentene is sourced from PubChem (CID 10906316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).