1,1,1,2,2,3,4,5,5-nonafluoropentane

C5H3F9 — CID 15464722

IUPAC1,1,1,2,2,3,4,5,5-nonafluoropentane
SMILESFC(F)C(F)C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9/c6-1(3(8)9)2(7)4(10,11)5(12,13)14/h1-3H
InChIKeyQGMJXJOILLCMLY-UHFFFAOYSA-N
MW234.06 g/mol
LogP3.13
Rot. Bonds3

About 1,1,1,2,2,3,4,5,5-nonafluoropentane

1,1,1,2,2,3,4,5,5-nonafluoropentane (PubChem CID 15464722) has the molecular formula C5H3F9 and a molecular weight of 234.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5-nonafluoropentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5-nonafluoropentane
PubChem CID15464722
Molecular FormulaC5H3F9
Molecular Weight234.06 g/mol
Exact Mass234.01
IUPAC Name1,1,1,2,2,3,4,5,5-nonafluoropentane
SMILESFC(F)C(F)C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9/c6-1(3(8)9)2(7)4(10,11)5(12,13)14/h1-3H
InChIKeyQGMJXJOILLCMLY-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,4,5,5,5-Decafluoropentane
CID 86240
1H-Perfluorohexane
CID 67730
1H-Perfluoroheptane
CID 9778
1H-perfluorobutane
CID 2775798
1,1,2,2,3,3,4-Heptafluorocyclopentane
CID 3853245
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane
CID 208872
1,1,1,2,2,3,3,4,5,5,6,6,6-Tridecafluorohexane
CID 550348
1,1,1,2,2,3,3,4,4,5,5-Undecafluoropentane
CID 9816874
2H-Nonafluorobutane
CID 2775800
1,1,1,2,2,3,3,4,5,6,6,6-Dodecafluorohexane
CID 10380153
1H,4H-Octafluorobutane
CID 67832
Nonafluorocyclopentane
CID 583022

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,5-nonafluoropentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5-nonafluoropentane (CID 15464722) is 1,1,1,2,2,3,4,5,5-nonafluoropentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5-nonafluoropentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5-nonafluoropentane is FC(F)C(F)C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,5-nonafluoropentane?
The InChIKey is QGMJXJOILLCMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9/c6-1(3(8)9)2(7)4(10,11)5(12,13)14/h1-3H.
What are the key properties of 1,1,1,2,2,3,4,5,5-nonafluoropentane?
1,1,1,2,2,3,4,5,5-nonafluoropentane has a molecular weight of 234.06 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,5-nonafluoropentane is sourced from PubChem (CID 15464722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).