4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane

C12F24 — CID 12872782

IUPAC4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
SMILESFC(F)=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F24/c13-2(14)1(4(15,9(25,26)27)7(20,21)12(34,35)36)3(8(22,23)24,5(16,17)10(28,29)30)6(18,19)11(31,32)33
InChIKeyGCNOKSVFKSPILH-UHFFFAOYSA-N
MW600.08 g/mol
LogP8.55
Rot. Bonds5

About 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane

4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane (PubChem CID 12872782) has the molecular formula C12F24 and a molecular weight of 600.08 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
PubChem CID12872782
Molecular FormulaC12F24
Molecular Weight600.08 g/mol
Exact Mass599.96
IUPAC Name4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
SMILESFC(F)=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F24/c13-2(14)1(4(15,9(25,26)27)7(20,21)12(34,35)36)3(8(22,23)24,5(16,17)10(28,29)30)6(18,19)11(31,32)33
InChIKeyGCNOKSVFKSPILH-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
The IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane (CID 12872782) is 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane.
What is the SMILES notation for 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
The canonical SMILES for 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane is FC(F)=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
The InChIKey is GCNOKSVFKSPILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F24/c13-2(14)1(4(15,9(25,26)27)7(20,21)12(34,35)36)3(8(22,23)24,5(16,17)10(28,29)30)6(18,19)11(31,32)33.
What are the key properties of 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane has a molecular weight of 600.08 g/mol, XLogP of 8.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane is sourced from PubChem (CID 12872782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).