3-(trifluoromethyl)azetidin-3-ol;hydrochloride

C4H7ClF3NO — CID 46735152

IUPAC3-(trifluoromethyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H6F3NO.ClH/c5-4(6,7)3(9)1-8-2-3;/h8-9H,1-2H2;1H
InChIKeyBWGPIPWVIWINLD-UHFFFAOYSA-N
MW177.55 g/mol
LogP0.30
Rot. Bonds

About 3-(trifluoromethyl)azetidin-3-ol;hydrochloride

3-(trifluoromethyl)azetidin-3-ol;hydrochloride (PubChem CID 46735152) has the molecular formula C4H7ClF3NO and a molecular weight of 177.55 g/mol. Its IUPAC name is 3-(trifluoromethyl)azetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)azetidin-3-ol;hydrochloride
PubChem CID46735152
Molecular FormulaC4H7ClF3NO
Molecular Weight177.55 g/mol
Exact Mass177.02
IUPAC Name3-(trifluoromethyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H6F3NO.ClH/c5-4(6,7)3(9)1-8-2-3;/h8-9H,1-2H2;1H
InChIKeyBWGPIPWVIWINLD-UHFFFAOYSA-N
XLogP0.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.55
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)azetidin-3-ol;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)azetidin-3-ol;hydrochloride (CID 46735152) is 3-(trifluoromethyl)azetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)azetidin-3-ol;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)azetidin-3-ol;hydrochloride is Cl.OC1(C(F)(F)F)CNC1.
What is the InChIKey of 3-(trifluoromethyl)azetidin-3-ol;hydrochloride?
The InChIKey is BWGPIPWVIWINLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO.ClH/c5-4(6,7)3(9)1-8-2-3;/h8-9H,1-2H2;1H.
What are the key properties of 3-(trifluoromethyl)azetidin-3-ol;hydrochloride?
3-(trifluoromethyl)azetidin-3-ol;hydrochloride has a molecular weight of 177.55 g/mol, XLogP of 0.30, 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-ol;hydrochloride is sourced from PubChem (CID 46735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).