1,1,1,2,2,4,4,4-octafluoro-3-methylbutane

C5H4F8 — CID 10954960

IUPAC1,1,1,2,2,4,4,4-octafluoro-3-methylbutane
SMILESCC(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8/c1-2(4(8,9)10)3(6,7)5(11,12)13/h2H,1H3
InChIKeyHPNFIKMZNRYMGS-UHFFFAOYSA-N
MW216.07 g/mol
LogP3.38
Rot. Bonds1

About 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane

1,1,1,2,2,4,4,4-octafluoro-3-methylbutane (PubChem CID 10954960) has the molecular formula C5H4F8 and a molecular weight of 216.07 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane.

Molecular Properties

Compound Name1,1,1,2,2,4,4,4-octafluoro-3-methylbutane
PubChem CID10954960
Molecular FormulaC5H4F8
Molecular Weight216.07 g/mol
Exact Mass216.02
IUPAC Name1,1,1,2,2,4,4,4-octafluoro-3-methylbutane
SMILESCC(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8/c1-2(4(8,9)10)3(6,7)5(11,12)13/h2H,1H3
InChIKeyHPNFIKMZNRYMGS-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 53.38
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 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane?
The IUPAC name of 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane (CID 10954960) is 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane.
What is the SMILES notation for 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane?
The canonical SMILES for 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane is CC(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane?
The InChIKey is HPNFIKMZNRYMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8/c1-2(4(8,9)10)3(6,7)5(11,12)13/h2H,1H3.
What are the key properties of 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane?
1,1,1,2,2,4,4,4-octafluoro-3-methylbutane has a molecular weight of 216.07 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,4-octafluoro-3-methylbutane is sourced from PubChem (CID 10954960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).