2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol

C13H26F3NO2 — CID 82959384

IUPAC2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOCCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-8-17-12(2,11-18)6-4-5-9-19-10-7-13(14,15)16/h17-18H,3-11H2,1-2H3
InChIKeyJAWPGDGZNTXPBR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.88
Rot. Bonds11

About 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol

2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol (PubChem CID 82959384) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
PubChem CID82959384
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOCCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-8-17-12(2,11-18)6-4-5-9-19-10-7-13(14,15)16/h17-18H,3-11H2,1-2H3
InChIKeyJAWPGDGZNTXPBR-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol (CID 82959384) is 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol is CCCNC(C)(CO)CCCCOCCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol?
The InChIKey is JAWPGDGZNTXPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-3-8-17-12(2,11-18)6-4-5-9-19-10-7-13(14,15)16/h17-18H,3-11H2,1-2H3.
What are the key properties of 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol?
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol has a molecular weight of 285.35 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol is sourced from PubChem (CID 82959384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).