3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride

C5H9ClF3NO — CID 71756519

IUPAC3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)1-3(9)2-4;/h3,10H,1-2,9H2;1H
InChIKeyZXWICPXOEHKXJG-UHFFFAOYSA-N
MW191.58 g/mol
LogP0.82
Rot. Bonds

About 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride

3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 71756519) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
PubChem CID71756519
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)1-3(9)2-4;/h3,10H,1-2,9H2;1H
InChIKeyZXWICPXOEHKXJG-UHFFFAOYSA-N
XLogP0.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;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-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride (CID 71756519) is 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride is Cl.NC1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is ZXWICPXOEHKXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)1-3(9)2-4;/h3,10H,1-2,9H2;1H.
What are the key properties of 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 71756519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).