3-(fluoromethyl)-3-methoxyazetidine;hydrochloride

C5H11ClFNO — CID 139022684

IUPAC3-(fluoromethyl)-3-methoxyazetidine;hydrochloride
SMILESCOC1(CF)CNC1.Cl
InChIInChI=1S/C5H10FNO.ClH/c1-8-5(2-6)3-7-4-5;/h7H,2-4H2,1H3;1H
InChIKeyYIGZWYDOJKXCGH-UHFFFAOYSA-N
MW155.60 g/mol
LogP0.37
Rot. Bonds2

About 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride

3-(fluoromethyl)-3-methoxyazetidine;hydrochloride (PubChem CID 139022684) has the molecular formula C5H11ClFNO and a molecular weight of 155.60 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-(fluoromethyl)-3-methoxyazetidine;hydrochloride
PubChem CID139022684
Molecular FormulaC5H11ClFNO
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Name3-(fluoromethyl)-3-methoxyazetidine;hydrochloride
SMILESCOC1(CF)CNC1.Cl
InChIInChI=1S/C5H10FNO.ClH/c1-8-5(2-6)3-7-4-5;/h7H,2-4H2,1H3;1H
InChIKeyYIGZWYDOJKXCGH-UHFFFAOYSA-N
XLogP0.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.60
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxy-3-methylazetidine hydrochloride
CID 53346546
3-Ethoxy-3-methylazetidine
CID 83066072
3-Ethoxy-3-methylazetidine hydrochloride
CID 124124155
3-Methoxy-3-(trifluoromethyl)azetidine hydrochloride
CID 132327547
3-(Fluoromethyl)azetidin-3-ol hydrochloride
CID 135394761
3-(Difluoromethyl)-3-methoxyazetidine hydrochloride
CID 145913729
3-Methyl-3-(trifluoromethoxy)azetidine hydrochloride
CID 155714428
3-(Difluoromethoxy)-3-methylazetidine
CID 114782806
3-Methoxy-3-methylazetidine
CID 46911956
3-Methoxy-3-(trifluoromethyl)azetidine
CID 121203413
3-Ethoxy-3-(trifluoromethyl)azetidine
CID 121203436
3-Propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 132101258

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride?
The IUPAC name of 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride (CID 139022684) is 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride.
What is the SMILES notation for 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride?
The canonical SMILES for 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride is COC1(CF)CNC1.Cl.
What is the InChIKey of 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride?
The InChIKey is YIGZWYDOJKXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO.ClH/c1-8-5(2-6)3-7-4-5;/h7H,2-4H2,1H3;1H.
What are the key properties of 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride?
3-(fluoromethyl)-3-methoxyazetidine;hydrochloride has a molecular weight of 155.60 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-methoxyazetidine;hydrochloride is sourced from PubChem (CID 139022684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).