N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine

C13H23F6N — CID 18388691

IUPACN-butyl-1,1,2,2,3,3-hexafluorononan-1-amine
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)NCCCC
InChIInChI=1S/C13H23F6N/c1-3-5-7-8-9-11(14,15)12(16,17)13(18,19)20-10-6-4-2/h20H,3-10H2,1-2H3
InChIKeyIATSQMBPQMVLQA-UHFFFAOYSA-N
MW307.32 g/mol
LogP5.21
Rot. Bonds11

About N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine

N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine (PubChem CID 18388691) has the molecular formula C13H23F6N and a molecular weight of 307.32 g/mol. Its IUPAC name is N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine.

Molecular Properties

Compound NameN-butyl-1,1,2,2,3,3-hexafluorononan-1-amine
PubChem CID18388691
Molecular FormulaC13H23F6N
Molecular Weight307.32 g/mol
Exact Mass307.17
IUPAC NameN-butyl-1,1,2,2,3,3-hexafluorononan-1-amine
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)NCCCC
InChIInChI=1S/C13H23F6N/c1-3-5-7-8-9-11(14,15)12(16,17)13(18,19)20-10-6-4-2/h20H,3-10H2,1-2H3
InChIKeyIATSQMBPQMVLQA-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.32
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine?
The IUPAC name of N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine (CID 18388691) is N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine.
What is the SMILES notation for N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine?
The canonical SMILES for N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine is CCCCCCC(F)(F)C(F)(F)C(F)(F)NCCCC.
What is the InChIKey of N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine?
The InChIKey is IATSQMBPQMVLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F6N/c1-3-5-7-8-9-11(14,15)12(16,17)13(18,19)20-10-6-4-2/h20H,3-10H2,1-2H3.
What are the key properties of N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine?
N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine has a molecular weight of 307.32 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine is sourced from PubChem (CID 18388691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).