4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane

C9F18 — CID 175228320

IUPAC4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane
SMILESFC(F)=C(C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(12,13)8(22,23)24)3(6(16,17)18,7(19,20)21)5(14,15)9(25,26)27
InChIKeyVCRBWKCWKKEBMU-UHFFFAOYSA-N
MW450.06 g/mol
LogP6.64
Rot. Bonds3

About 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane

4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane (PubChem CID 175228320) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane
PubChem CID175228320
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane
SMILESFC(F)=C(C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(12,13)8(22,23)24)3(6(16,17)18,7(19,20)21)5(14,15)9(25,26)27
InChIKeyVCRBWKCWKKEBMU-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.06
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane 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
Perfluoro-2-t-butyl-3-methylbut-1-ene
CID 14594410
Perfluorotributylpropylene
CID 129818805
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
4-(Difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
CID 12708030
(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
1,1,2,3,3,4,5,5,6,6,7,7,7-Tridecafluoro-4-(trifluoromethyl)hept-1-ene
CID 175903046
1,1,3,3,4,5,6,6,6-Nonafluoro-2,4,5-tris(trifluoromethyl)hex-1-ene
CID 176027498
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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane?
The IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane (CID 175228320) is 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane.
What is the SMILES notation for 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane?
The canonical SMILES for 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane is FC(F)=C(C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane?
The InChIKey is VCRBWKCWKKEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18/c10-2(11)1(4(12,13)8(22,23)24)3(6(16,17)18,7(19,20)21)5(14,15)9(25,26)27.
What are the key properties of 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane?
4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane has a molecular weight of 450.06 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane is sourced from PubChem (CID 175228320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).