1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol

C10H20F3NO3 — CID 60632508

IUPAC1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO3/c1-8(2)17-4-3-16-6-9(15)5-14-7-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyHMTLZUHCRDLDES-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.94
Rot. Bonds9

About 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632508) has the molecular formula C10H20F3NO3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632508
Molecular FormulaC10H20F3NO3
Molecular Weight259.27 g/mol
Exact Mass259.14
IUPAC Name1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO3/c1-8(2)17-4-3-16-6-9(15)5-14-7-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyHMTLZUHCRDLDES-UHFFFAOYSA-N
XLogP0.94
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
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 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632508) is 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol is CC(C)OCCOCC(O)CNCC(F)(F)F.
What is the InChIKey of 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is HMTLZUHCRDLDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3/c1-8(2)17-4-3-16-6-9(15)5-14-7-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 259.27 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).