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

C5H8ClF3O — CID 153410019

IUPAC1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCC1
InChIInChI=1S/C5H7F3O.ClH/c6-5(7,8)4(9)2-1-3-4;/h9H,1-3H2;1H
InChIKeyGVNSOVJJYAIERY-UHFFFAOYSA-N
MW176.56 g/mol
LogP1.89
Rot. Bonds

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

1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 153410019) has the molecular formula C5H8ClF3O and a molecular weight of 176.56 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
PubChem CID153410019
Molecular FormulaC5H8ClF3O
Molecular Weight176.56 g/mol
Exact Mass176.02
IUPAC Name1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCC1
InChIInChI=1S/C5H7F3O.ClH/c6-5(7,8)4(9)2-1-3-4;/h9H,1-3H2;1H
InChIKeyGVNSOVJJYAIERY-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride (CID 153410019) is 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride is Cl.OC1(C(F)(F)F)CCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is GVNSOVJJYAIERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O.ClH/c6-5(7,8)4(9)2-1-3-4;/h9H,1-3H2;1H.
What are the key properties of 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride?
1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride has a molecular weight of 176.56 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 153410019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).