methyl 3-fluoroazetidine-3-carboxylate;hydrochloride

C5H9ClFNO2 — CID 89401741

IUPACmethyl 3-fluoroazetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(F)CNC1.Cl
InChIInChI=1S/C5H8FNO2.ClH/c1-9-4(8)5(6)2-7-3-5;/h7H,2-3H2,1H3;1H
InChIKeyLXRPGQJMUPHTPM-UHFFFAOYSA-N
MW169.58 g/mol
LogP-0.11
Rot. Bonds1

About methyl 3-fluoroazetidine-3-carboxylate;hydrochloride

methyl 3-fluoroazetidine-3-carboxylate;hydrochloride (PubChem CID 89401741) has the molecular formula C5H9ClFNO2 and a molecular weight of 169.58 g/mol. Its IUPAC name is methyl 3-fluoroazetidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-fluoroazetidine-3-carboxylate;hydrochloride
PubChem CID89401741
Molecular FormulaC5H9ClFNO2
Molecular Weight169.58 g/mol
Exact Mass169.03
IUPAC Namemethyl 3-fluoroazetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(F)CNC1.Cl
InChIInChI=1S/C5H8FNO2.ClH/c1-9-4(8)5(6)2-7-3-5;/h7H,2-3H2,1H3;1H
InChIKeyLXRPGQJMUPHTPM-UHFFFAOYSA-N
XLogP-0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl azetidine-3-carboxylate hydrochloride
CID 21100040
Ethyl azetidine-3-carboxylate hydrochloride
CID 44828820
Ethyl 3-methylazetidine-3-carboxylate
CID 55288359
Methyl azetidine-3-carboxylate
CID 20132751
Methyl2,2-difluoro-3-(methylamino)propanoatehydrochloride
CID 155943463
Methyl 3-(fluoromethyl)azetidine-3-carboxylate hydrochloride
CID 170913019
Methyl 3-fluoroazetidine-3-carboxylate
CID 72207944
(3-Fluoroazetidin-3-yl)methyl 2,2-dimethylpropanoate
CID 174800137
Methyl 2-fluoro-3-(methylamino)propanoate
CID 84648239
Ethyl 3-fluoroazetidine-3-carboxylate
CID 112756496
Tert-butyl 3-fluoroazetidine-3-carboxylate
CID 121604726
Methyl 3-(fluoromethyl)azetidine-3-carboxylate
CID 131343496

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoroazetidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 3-fluoroazetidine-3-carboxylate;hydrochloride (CID 89401741) is methyl 3-fluoroazetidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-fluoroazetidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-fluoroazetidine-3-carboxylate;hydrochloride is COC(=O)C1(F)CNC1.Cl.
What is the InChIKey of methyl 3-fluoroazetidine-3-carboxylate;hydrochloride?
The InChIKey is LXRPGQJMUPHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2.ClH/c1-9-4(8)5(6)2-7-3-5;/h7H,2-3H2,1H3;1H.
What are the key properties of methyl 3-fluoroazetidine-3-carboxylate;hydrochloride?
methyl 3-fluoroazetidine-3-carboxylate;hydrochloride has a molecular weight of 169.58 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoroazetidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 89401741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).