3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine

C9H8F13NO — CID 171752158

IUPAC3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine
SMILESNCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13NO/c10-4(11,6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)24-3-1-2-23/h1-3,23H2
InChIKeyVIDBRVBXHUYELW-UHFFFAOYSA-N
MW393.14 g/mol
LogP4.05
Rot. Bonds8

About 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine

3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine (PubChem CID 171752158) has the molecular formula C9H8F13NO and a molecular weight of 393.14 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine
PubChem CID171752158
Molecular FormulaC9H8F13NO
Molecular Weight393.14 g/mol
Exact Mass393.04
IUPAC Name3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine
SMILESNCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F13NO/c10-4(11,6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)24-3-1-2-23/h1-3,23H2
InChIKeyVIDBRVBXHUYELW-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.14
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine?
The IUPAC name of 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine (CID 171752158) is 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine.
What is the SMILES notation for 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine?
The canonical SMILES for 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine is NCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine?
The InChIKey is VIDBRVBXHUYELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F13NO/c10-4(11,6(14,15)8(18,19)20)5(12,13)7(16,17)9(21,22)24-3-1-2-23/h1-3,23H2.
What are the key properties of 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine?
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine has a molecular weight of 393.14 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)propan-1-amine is sourced from PubChem (CID 171752158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).