3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride

C5H11ClF3NO — CID 170911746

IUPAC3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride
SMILESCOCC(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-10-3-4(2-9)5(6,7)8;/h4H,2-3,9H2,1H3;1H
InChIKeyDLUZSLKEAALVJE-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.19
Rot. Bonds3

About 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride

3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride (PubChem CID 170911746) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride
PubChem CID170911746
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride
SMILESCOCC(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-10-3-4(2-9)5(6,7)8;/h4H,2-3,9H2,1H3;1H
InChIKeyDLUZSLKEAALVJE-UHFFFAOYSA-N
XLogP1.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride 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 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride (CID 170911746) is 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride is COCC(CN)C(F)(F)F.Cl.
What is the InChIKey of 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride?
The InChIKey is DLUZSLKEAALVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-10-3-4(2-9)5(6,7)8;/h4H,2-3,9H2,1H3;1H.
What are the key properties of 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride?
3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 170911746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).