2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol

C13H26F3NO2 — CID 66277709

IUPAC2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-4-8-17-12(3,10-18)7-5-6-9-19-11(2)13(14,15)16/h11,17-18H,4-10H2,1-3H3
InChIKeyLBWBACCNBHMANU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.87
Rot. Bonds10

About 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol

2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (PubChem CID 66277709) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
PubChem CID66277709
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-4-8-17-12(3,10-18)7-5-6-9-19-11(2)13(14,15)16/h11,17-18H,4-10H2,1-3H3
InChIKeyLBWBACCNBHMANU-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.87
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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Related Compounds

4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
2,5-Dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61045279
2-(Cyclopropylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64802199
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64802825
2-Methyl-2-(methylamino)-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64803034
2-Methyl-2-(propan-2-ylamino)-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64803240
2-Methyl-2-(propylamino)-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64803861
2-(Ethylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64804498
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64804912
2-Methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol
CID 65337458
2-Methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66275331
2-Methyl-2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 66275339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (CID 66277709) is 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is CCCNC(C)(CO)CCCCOC(C)C(F)(F)F.
What is the InChIKey of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The InChIKey is LBWBACCNBHMANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-4-8-17-12(3,10-18)7-5-6-9-19-11(2)13(14,15)16/h11,17-18H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol has a molecular weight of 285.35 g/mol, XLogP of 2.87, 10 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-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 66277709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).