1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane

C6H3F11 — CID 15825708

IUPAC1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11/c7-3(8,6(15,16)17)1-2(4(9,10)11)5(12,13)14/h2H,1H2
InChIKeyHOPIMNPCVOTFDN-UHFFFAOYSA-N
MW284.07 g/mol
LogP4.31
Rot. Bonds2

About 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane

1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane (PubChem CID 15825708) has the molecular formula C6H3F11 and a molecular weight of 284.07 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane
PubChem CID15825708
Molecular FormulaC6H3F11
Molecular Weight284.07 g/mol
Exact Mass284.01
IUPAC Name1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11/c7-3(8,6(15,16)17)1-2(4(9,10)11)5(12,13)14/h2H,1H2
InChIKeyHOPIMNPCVOTFDN-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 54.31
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 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane (CID 15825708) is 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane is FC(F)(F)C(CC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane?
The InChIKey is HOPIMNPCVOTFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11/c7-3(8,6(15,16)17)1-2(4(9,10)11)5(12,13)14/h2H,1H2.
What are the key properties of 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane?
1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane has a molecular weight of 284.07 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 15825708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).