2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine

C5H4F9N — CID 2769669

IUPAC2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
SMILESNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2
InChIKeySUNUNYBGDFIAME-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.41
Rot. Bonds3

About 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine

2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine (PubChem CID 2769669) has the molecular formula C5H4F9N and a molecular weight of 249.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
PubChem CID2769669
Molecular FormulaC5H4F9N
Molecular Weight249.08 g/mol
Exact Mass249.02
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
SMILESNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2
InChIKeySUNUNYBGDFIAME-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine (CID 2769669) is 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine is NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine?
The InChIKey is SUNUNYBGDFIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine?
2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine has a molecular weight of 249.08 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine is sourced from PubChem (CID 2769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).