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

C9H3F15 — CID 13116050

IUPAC4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane
SMILESCC(C(=C(F)F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F15/c1-4(7(16,17)18,6(14,15)9(22,23)24)2(3(10)11)5(12,13)8(19,20)21/h1H3
InChIKeyMWAVPJUNGVVSJR-UHFFFAOYSA-N
MW396.09 g/mol
LogP6.10
Rot. Bonds3

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

4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane (PubChem CID 13116050) has the molecular formula C9H3F15 and a molecular weight of 396.09 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane
PubChem CID13116050
Molecular FormulaC9H3F15
Molecular Weight396.09 g/mol
Exact Mass396.00
IUPAC Name4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane
SMILESCC(C(=C(F)F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F15/c1-4(7(16,17)18,6(14,15)9(22,23)24)2(3(10)11)5(12,13)8(19,20)21/h1H3
InChIKeyMWAVPJUNGVVSJR-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.09
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane?
The IUPAC name of 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane (CID 13116050) is 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane.
What is the SMILES notation for 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane?
The canonical SMILES for 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane is CC(C(=C(F)F)C(F)(F)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-methyl-3-(trifluoromethyl)hexane?
The InChIKey is MWAVPJUNGVVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F15/c1-4(7(16,17)18,6(14,15)9(22,23)24)2(3(10)11)5(12,13)8(19,20)21/h1H3.
What are the key properties of 4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane?
4-(difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-methyl-3-(trifluoromethyl)hexane has a molecular weight of 396.09 g/mol, XLogP of 6.10, 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-methyl-3-(trifluoromethyl)hexane is sourced from PubChem (CID 13116050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).