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

C13H26F3NO2 — CID 66277941

IUPAC2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-10(2)17-12(4,9-18)7-5-6-8-19-11(3)13(14,15)16/h10-11,17-18H,5-9H2,1-4H3
InChIKeyGCUSUTIASSGBBU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.87
Rot. Bonds9

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

2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (PubChem CID 66277941) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
PubChem CID66277941
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-10(2)17-12(4,9-18)7-5-6-8-19-11(3)13(14,15)16/h10-11,17-18H,5-9H2,1-4H3
InChIKeyGCUSUTIASSGBBU-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (CID 66277941) is 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is CC(C)NC(C)(CO)CCCCOC(C)C(F)(F)F.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The InChIKey is GCUSUTIASSGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-10(2)17-12(4,9-18)7-5-6-8-19-11(3)13(14,15)16/h10-11,17-18H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol has a molecular weight of 285.35 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 66277941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).