1,1,1,2,2,3,4,4,4-nonafluorobutane

C4HF9 — CID 2775800

IUPAC1,1,1,2,2,3,4,4,4-nonafluorobutane
SMILESFC(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H
InChIKeyQXIZXTKKSIAZOR-UHFFFAOYSA-N
MW220.03 g/mol
LogP3.08
Rot. Bonds1

About 1,1,1,2,2,3,4,4,4-nonafluorobutane

1,1,1,2,2,3,4,4,4-nonafluorobutane (PubChem CID 2775800) has the molecular formula C4HF9 and a molecular weight of 220.03 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,4,4-nonafluorobutane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,4,4-nonafluorobutane
PubChem CID2775800
Molecular FormulaC4HF9
Molecular Weight220.03 g/mol
Exact Mass219.99
IUPAC Name1,1,1,2,2,3,4,4,4-nonafluorobutane
SMILESFC(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H
InChIKeyQXIZXTKKSIAZOR-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 53.08
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 1,1,1,2,2,3,4,4,4-nonafluorobutane?
The IUPAC name of 1,1,1,2,2,3,4,4,4-nonafluorobutane (CID 2775800) is 1,1,1,2,2,3,4,4,4-nonafluorobutane.
What is the SMILES notation for 1,1,1,2,2,3,4,4,4-nonafluorobutane?
The canonical SMILES for 1,1,1,2,2,3,4,4,4-nonafluorobutane is FC(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,4,4-nonafluorobutane?
The InChIKey is QXIZXTKKSIAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H.
What are the key properties of 1,1,1,2,2,3,4,4,4-nonafluorobutane?
1,1,1,2,2,3,4,4,4-nonafluorobutane has a molecular weight of 220.03 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 2775800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).