3-(trifluoromethyl)azetidin-3-amine;dihydrochloride

C4H9Cl2F3N2 — CID 135392808

IUPAC3-(trifluoromethyl)azetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H7F3N2.2ClH/c5-4(6,7)3(8)1-9-2-3;;/h9H,1-2,8H2;2*1H
InChIKeyHDXBQSXBTCRVSB-UHFFFAOYSA-N
MW213.03 g/mol
LogP0.69
Rot. Bonds

About 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride

3-(trifluoromethyl)azetidin-3-amine;dihydrochloride (PubChem CID 135392808) has the molecular formula C4H9Cl2F3N2 and a molecular weight of 213.03 g/mol. Its IUPAC name is 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)azetidin-3-amine;dihydrochloride
PubChem CID135392808
Molecular FormulaC4H9Cl2F3N2
Molecular Weight213.03 g/mol
Exact Mass212.01
IUPAC Name3-(trifluoromethyl)azetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H7F3N2.2ClH/c5-4(6,7)3(8)1-9-2-3;;/h9H,1-2,8H2;2*1H
InChIKeyHDXBQSXBTCRVSB-UHFFFAOYSA-N
XLogP0.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride 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-(trifluoromethyl)azetidin-3-amine;dihydrochloride?
The IUPAC name of 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride (CID 135392808) is 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride?
The canonical SMILES for 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride is Cl.Cl.NC1(C(F)(F)F)CNC1.
What is the InChIKey of 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride?
The InChIKey is HDXBQSXBTCRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2.2ClH/c5-4(6,7)3(8)1-9-2-3;;/h9H,1-2,8H2;2*1H.
What are the key properties of 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride?
3-(trifluoromethyl)azetidin-3-amine;dihydrochloride has a molecular weight of 213.03 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)azetidin-3-amine;dihydrochloride is sourced from PubChem (CID 135392808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).