6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine

C12H21F6NO — CID 102723229

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine
SMILESCCCNCCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6NO/c1-2-7-19-8-5-3-4-6-9-20-10(11(13,14)15)12(16,17)18/h10,19H,2-9H2,1H3
InChIKeyUCSOSGKONYNMQF-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.06
Rot. Bonds10

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine (PubChem CID 102723229) has the molecular formula C12H21F6NO and a molecular weight of 309.29 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine
PubChem CID102723229
Molecular FormulaC12H21F6NO
Molecular Weight309.29 g/mol
Exact Mass309.15
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine
SMILESCCCNCCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6NO/c1-2-7-19-8-5-3-4-6-9-20-10(11(13,14)15)12(16,17)18/h10,19H,2-9H2,1H3
InChIKeyUCSOSGKONYNMQF-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine (CID 102723229) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine is CCCNCCCCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine?
The InChIKey is UCSOSGKONYNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F6NO/c1-2-7-19-8-5-3-4-6-9-20-10(11(13,14)15)12(16,17)18/h10,19H,2-9H2,1H3.
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine has a molecular weight of 309.29 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylhexan-1-amine is sourced from PubChem (CID 102723229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).