6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine

C11H19F3N4 — CID 116535019

IUPAC6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCCn1ccnn1
InChIInChI=1S/C11H19F3N4/c1-10(4-2-5-11(12,13)14)15-6-3-8-18-9-7-16-17-18/h7,9-10,15H,2-6,8H2,1H3
InChIKeyHSLNHJQYOBXGGJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.38
Rot. Bonds8

About 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine

6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine (PubChem CID 116535019) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine
PubChem CID116535019
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCCn1ccnn1
InChIInChI=1S/C11H19F3N4/c1-10(4-2-5-11(12,13)14)15-6-3-8-18-9-7-16-17-18/h7,9-10,15H,2-6,8H2,1H3
InChIKeyHSLNHJQYOBXGGJ-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine (CID 116535019) is 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine is CC(CCCC(F)(F)F)NCCCn1ccnn1.
What is the InChIKey of 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine?
The InChIKey is HSLNHJQYOBXGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-10(4-2-5-11(12,13)14)15-6-3-8-18-9-7-16-17-18/h7,9-10,15H,2-6,8H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine?
6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine has a molecular weight of 264.29 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[3-(triazol-1-yl)propyl]hexan-2-amine is sourced from PubChem (CID 116535019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).