3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

C7F14 — CID 12789861

IUPAC3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESFC(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14/c8-2(9)1(4(11,12)7(19,20)21)3(10,5(13,14)15)6(16,17)18
InChIKeyBBLHAVGUEWFICG-UHFFFAOYSA-N
MW350.05 g/mol
LogP5.17
Rot. Bonds2

About 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (PubChem CID 12789861) has the molecular formula C7F14 and a molecular weight of 350.05 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
PubChem CID12789861
Molecular FormulaC7F14
Molecular Weight350.05 g/mol
Exact Mass349.98
IUPAC Name3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESFC(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14/c8-2(9)1(4(11,12)7(19,20)21)3(10,5(13,14)15)6(16,17)18
InChIKeyBBLHAVGUEWFICG-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.05
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (CID 12789861) is 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is FC(F)=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The InChIKey is BBLHAVGUEWFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14/c8-2(9)1(4(11,12)7(19,20)21)3(10,5(13,14)15)6(16,17)18.
What are the key properties of 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane has a molecular weight of 350.05 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 12789861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).