3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol

C9H18F3NO2 — CID 114357806

IUPAC3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-8(2,3)7(13)6(4-14)15-5-9(10,11)12/h6-7,14H,4-5,13H2,1-3H3
InChIKeyRIFFFHUJXPBSCT-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.30
Rot. Bonds4

About 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol

3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 114357806) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
PubChem CID114357806
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-8(2,3)7(13)6(4-14)15-5-9(10,11)12/h6-7,14H,4-5,13H2,1-3H3
InChIKeyRIFFFHUJXPBSCT-UHFFFAOYSA-N
XLogP1.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4,4-dimethyl-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-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 114357806) is 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol is CC(C)(C)C(N)C(CO)OCC(F)(F)F.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The InChIKey is RIFFFHUJXPBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-8(2,3)7(13)6(4-14)15-5-9(10,11)12/h6-7,14H,4-5,13H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 114357806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).