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

C7H4F12 — CID 14225156

IUPAC1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane
SMILESCC(F)(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12/c1-3(8,6(15,16)7(17,18)19)2(4(9,10)11)5(12,13)14/h2H,1H3
InChIKeyZPOALZCYPGFXHX-UHFFFAOYSA-N
MW316.09 g/mol
LogP4.65
Rot. Bonds2

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

1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane (PubChem CID 14225156) has the molecular formula C7H4F12 and a molecular weight of 316.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane
PubChem CID14225156
Molecular FormulaC7H4F12
Molecular Weight316.09 g/mol
Exact Mass316.01
IUPAC Name1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane
SMILESCC(F)(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12/c1-3(8,6(15,16)7(17,18)19)2(4(9,10)11)5(12,13)14/h2H,1H3
InChIKeyZPOALZCYPGFXHX-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 54.65
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 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane (CID 14225156) is 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane is CC(F)(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane?
The InChIKey is ZPOALZCYPGFXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12/c1-3(8,6(15,16)7(17,18)19)2(4(9,10)11)5(12,13)14/h2H,1H3.
What are the key properties of 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane has a molecular weight of 316.09 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,5,5,5-nonafluoro-3-methyl-4-(trifluoromethyl)pentane is sourced from PubChem (CID 14225156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).