2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine

C9H5F9N2 — CID 152512709

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine
SMILESNc1cccnc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F9N2/c10-6(11,5-4(19)2-1-3-20-5)7(12,13)8(14,15)9(16,17)18/h1-3H,19H2
InChIKeyYFVUVXPEMCEHBX-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.59
Rot. Bonds3

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine (PubChem CID 152512709) has the molecular formula C9H5F9N2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine
PubChem CID152512709
Molecular FormulaC9H5F9N2
Molecular Weight312.14 g/mol
Exact Mass312.03
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine
SMILESNc1cccnc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F9N2/c10-6(11,5-4(19)2-1-3-20-5)7(12,13)8(14,15)9(16,17)18/h1-3H,19H2
InChIKeyYFVUVXPEMCEHBX-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine (CID 152512709) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine is Nc1cccnc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine?
The InChIKey is YFVUVXPEMCEHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F9N2/c10-6(11,5-4(19)2-1-3-20-5)7(12,13)8(14,15)9(16,17)18/h1-3H,19H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine has a molecular weight of 312.14 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine is sourced from PubChem (CID 152512709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).