2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane

C10F18O2 — CID 59593690

IUPAC2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10F18O2/c11-1(12)2-29-8(23,10(27,28)30-2)6(19,20)4(15,16)3(13,14)5(17,18)7(21,22)9(24,25)26
InChIKeyINDMPPRZLIFXHF-UHFFFAOYSA-N
MW494.07 g/mol
LogP6.10
Rot. Bonds5

About 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane

2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane (PubChem CID 59593690) has the molecular formula C10F18O2 and a molecular weight of 494.07 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane
PubChem CID59593690
Molecular FormulaC10F18O2
Molecular Weight494.07 g/mol
Exact Mass493.96
IUPAC Name2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10F18O2/c11-1(12)2-29-8(23,10(27,28)30-2)6(19,20)4(15,16)3(13,14)5(17,18)7(21,22)9(24,25)26
InChIKeyINDMPPRZLIFXHF-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.07
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane (CID 59593690) is 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane is FC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
The InChIKey is INDMPPRZLIFXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18O2/c11-1(12)2-29-8(23,10(27,28)30-2)6(19,20)4(15,16)3(13,14)5(17,18)7(21,22)9(24,25)26.
What are the key properties of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane has a molecular weight of 494.07 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane is sourced from PubChem (CID 59593690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).