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

C8F16 — CID 12708030

IUPAC4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
SMILESFC(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F16/c9-2(10)1(4(12,13)7(19,20)21)3(11,6(16,17)18)5(14,15)8(22,23)24
InChIKeyPFLCRJAVVULHAT-UHFFFAOYSA-N
MW400.06 g/mol
LogP5.80
Rot. Bonds3

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

4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane (PubChem CID 12708030) has the molecular formula C8F16 and a molecular weight of 400.06 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
PubChem CID12708030
Molecular FormulaC8F16
Molecular Weight400.06 g/mol
Exact Mass399.97
IUPAC Name4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
SMILESFC(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F16/c9-2(10)1(4(12,13)7(19,20)21)3(11,6(16,17)18)5(14,15)8(22,23)24
InChIKeyPFLCRJAVVULHAT-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.06
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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-1-methyl-3-methylidenecyclopentane
CID 53919539
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
Perfluoro-2-methyl-3-ethylpentene
CID 145722221
1,1,3,4,4,5,5,5-Octafluoro-2,3-bis(trifluoromethyl)pent-1-ene
CID 12789863
1,1,3,4,4,5,5,5-Octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene
CID 14594409
1,1,3,5,5-Pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)penta-1,4-diene
CID 53845316
5-(Difluoromethylidene)-1,1,2,2,3,3,4-heptafluoro-4-(trifluoromethyl)cyclopentane
CID 87786190
1,1,3,4,4,5,6,6,6-Nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
CID 87932326
1,1,2,3-Tetrafluoro-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3-(trifluoromethyl)cyclopropane
CID 89154157
1,1,2,3,4,4,5,6,7,7-Decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene
CID 91449769
1,1,2,3,4,5,5,5-Octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-1-ene
CID 141425308

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane?
The IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane (CID 12708030) is 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane.
What is the SMILES notation for 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane?
The canonical SMILES for 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane is FC(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane?
The InChIKey is PFLCRJAVVULHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16/c9-2(10)1(4(12,13)7(19,20)21)3(11,6(16,17)18)5(14,15)8(22,23)24.
What are the key properties of 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane?
4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane has a molecular weight of 400.06 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane is sourced from PubChem (CID 12708030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).