3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene

C17H12F20O4 — CID 155670564

IUPAC3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene
SMILESFC(F)C(F)(F)COC1=C(OCC(F)(F)C(F)F)C(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C17H12F20O4/c18-7(19)11(26,27)1-38-5-6(39-2-12(28,29)8(20)21)16(17(36,37)15(5,34)35,40-3-13(30,31)9(22)23)41-4-14(32,33)10(24)25/h7-10H,1-4H2
InChIKeyQKPRHMXAXHXMIK-UHFFFAOYSA-N
MW660.24 g/mol
LogP6.85
Rot. Bonds16

About 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene

3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene (PubChem CID 155670564) has the molecular formula C17H12F20O4 and a molecular weight of 660.24 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene
PubChem CID155670564
Molecular FormulaC17H12F20O4
Molecular Weight660.24 g/mol
Exact Mass660.04
IUPAC Name3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene
SMILESFC(F)C(F)(F)COC1=C(OCC(F)(F)C(F)F)C(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C17H12F20O4/c18-7(19)11(26,27)1-38-5-6(39-2-12(28,29)8(20)21)16(17(36,37)15(5,34)35,40-3-13(30,31)9(22)23)41-4-14(32,33)10(24)25/h7-10H,1-4H2
InChIKeyQKPRHMXAXHXMIK-UHFFFAOYSA-N
XLogP6.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.24
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
The IUPAC name of 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene (CID 155670564) is 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene is FC(F)C(F)(F)COC1=C(OCC(F)(F)C(F)F)C(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
The InChIKey is QKPRHMXAXHXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F20O4/c18-7(19)11(26,27)1-38-5-6(39-2-12(28,29)8(20)21)16(17(36,37)15(5,34)35,40-3-13(30,31)9(22)23)41-4-14(32,33)10(24)25/h7-10H,1-4H2.
What are the key properties of 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene?
3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene has a molecular weight of 660.24 g/mol, XLogP of 6.85, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene is sourced from PubChem (CID 155670564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).