3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol

C10H20F3NO2 — CID 62015613

IUPAC3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
SMILESCC(C)N(CCCO)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2)14(4-3-6-15)5-7-16-8-10(11,12)13/h9,15H,3-8H2,1-2H3
InChIKeyGSMDWFCWVPQUNQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.66
Rot. Bonds8

About 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol

3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol (PubChem CID 62015613) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
PubChem CID62015613
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
SMILESCC(C)N(CCCO)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2)14(4-3-6-15)5-7-16-8-10(11,12)13/h9,15H,3-8H2,1-2H3
InChIKeyGSMDWFCWVPQUNQ-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol 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 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol (CID 62015613) is 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol is CC(C)N(CCCO)CCOCC(F)(F)F.
What is the InChIKey of 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
The InChIKey is GSMDWFCWVPQUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(2)14(4-3-6-15)5-7-16-8-10(11,12)13/h9,15H,3-8H2,1-2H3.
What are the key properties of 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol is sourced from PubChem (CID 62015613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).