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

C14F28 — CID 134874191

IUPAC4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
SMILESFC(F)=C(C(C(F)(F)F)(C(F)(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/C14F28/c15-2(16)1(3(9(25,26)27,5(17,18)11(31,32)33)6(19,20)12(34,35)36)4(10(28,29)30,7(21,22)13(37,38)39)8(23,24)14(40,41)42
InChIKeyBTAIMSYOPLPRHS-UHFFFAOYSA-N
MW700.10 g/mol
LogP10.02
Rot. Bonds6

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

4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane (PubChem CID 134874191) has the molecular formula C14F28 and a molecular weight of 700.10 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
PubChem CID134874191
Molecular FormulaC14F28
Molecular Weight700.10 g/mol
Exact Mass699.96
IUPAC Name4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
SMILESFC(F)=C(C(C(F)(F)F)(C(F)(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/C14F28/c15-2(16)1(3(9(25,26)27,5(17,18)11(31,32)33)6(19,20)12(34,35)36)4(10(28,29)30,7(21,22)13(37,38)39)8(23,24)14(40,41)42
InChIKeyBTAIMSYOPLPRHS-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.10
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Related Compounds

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
Perfluorotributylpropylene
CID 129818805
4-(Difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
CID 12708030
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
CID 12708036
(E)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
CID 20384747
1,1,3,4,4,5,6,6,6-Nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
CID 87932326
(Z)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
CID 166521316
1,3,3,4,4-Pentafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclobutene
CID 175078748
4-(Difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane
CID 175228320
1,1,3,4,4,5,5,6,6,6-Decafluoro-2,3-bis(trifluoromethyl)hex-1-ene
CID 176400714
4-(Difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane
CID 13116050
1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-Pentadecafluoro-5-(trifluoromethyl)oct-1-ene
CID 174637309

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
The IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane (CID 134874191) is 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane.
What is the SMILES notation for 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
The canonical SMILES for 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane is FC(F)=C(C(C(F)(F)F)(C(F)(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)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
The InChIKey is BTAIMSYOPLPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F28/c15-2(16)1(3(9(25,26)27,5(17,18)11(31,32)33)6(19,20)12(34,35)36)4(10(28,29)30,7(21,22)13(37,38)39)8(23,24)14(40,41)42.
What are the key properties of 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane?
4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane has a molecular weight of 700.10 g/mol, XLogP of 10.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane is sourced from PubChem (CID 134874191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).