3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol

C7H14F3NO2 — CID 104840540

IUPAC3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESCCC(N)C(CO)OCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-2-5(11)6(3-12)13-4-7(8,9)10/h5-6,12H,2-4,11H2,1H3
InChIKeyUGPAZUIQRIANIL-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.66
Rot. Bonds5

About 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol

3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 104840540) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol
PubChem CID104840540
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESCCC(N)C(CO)OCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-2-5(11)6(3-12)13-4-7(8,9)10/h5-6,12H,2-4,11H2,1H3
InChIKeyUGPAZUIQRIANIL-UHFFFAOYSA-N
XLogP0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(2,2,2-trifluoroethoxy)pentan-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-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The IUPAC name of 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 104840540) is 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The canonical SMILES for 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol is CCC(N)C(CO)OCC(F)(F)F.
What is the InChIKey of 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The InChIKey is UGPAZUIQRIANIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-2-5(11)6(3-12)13-4-7(8,9)10/h5-6,12H,2-4,11H2,1H3.
What are the key properties of 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 201.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 104840540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).