1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine

C5H4F9N — CID 87462341

IUPAC1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C5H4F9N/c6-2(7,1-3(8,9)10)4(11,12)5(13,14)15/h1,15H2
InChIKeyFQSSTAXVDJSNSL-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.76
Rot. Bonds3

About 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine

1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine (PubChem CID 87462341) has the molecular formula C5H4F9N and a molecular weight of 249.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine
PubChem CID87462341
Molecular FormulaC5H4F9N
Molecular Weight249.08 g/mol
Exact Mass249.02
IUPAC Name1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C5H4F9N/c6-2(7,1-3(8,9)10)4(11,12)5(13,14)15/h1,15H2
InChIKeyFQSSTAXVDJSNSL-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine?
The IUPAC name of 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine (CID 87462341) is 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine is NC(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine?
The InChIKey is FQSSTAXVDJSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F9N/c6-2(7,1-3(8,9)10)4(11,12)5(13,14)15/h1,15H2.
What are the key properties of 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine?
1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine has a molecular weight of 249.08 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,5,5,5-nonafluoropentan-1-amine is sourced from PubChem (CID 87462341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).