3-fluoro-3-methylazetidine;hydrochloride

C4H9ClFN — CID 71757905

IUPAC3-fluoro-3-methylazetidine;hydrochloride
SMILESCC1(F)CNC1.Cl
InChIInChI=1S/C4H8FN.ClH/c1-4(5)2-6-3-4;/h6H,2-3H2,1H3;1H
InChIKeyZKVDMAPGKXMHFO-UHFFFAOYSA-N
MW125.57 g/mol
LogP0.74
Rot. Bonds

About 3-fluoro-3-methylazetidine;hydrochloride

3-fluoro-3-methylazetidine;hydrochloride (PubChem CID 71757905) has the molecular formula C4H9ClFN and a molecular weight of 125.57 g/mol. Its IUPAC name is 3-fluoro-3-methylazetidine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-3-methylazetidine;hydrochloride
PubChem CID71757905
Molecular FormulaC4H9ClFN
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Name3-fluoro-3-methylazetidine;hydrochloride
SMILESCC1(F)CNC1.Cl
InChIInChI=1S/C4H8FN.ClH/c1-4(5)2-6-3-4;/h6H,2-3H2,1H3;1H
InChIKeyZKVDMAPGKXMHFO-UHFFFAOYSA-N
XLogP0.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.57
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylazetidine;hydrochloride?
The IUPAC name of 3-fluoro-3-methylazetidine;hydrochloride (CID 71757905) is 3-fluoro-3-methylazetidine;hydrochloride.
What is the SMILES notation for 3-fluoro-3-methylazetidine;hydrochloride?
The canonical SMILES for 3-fluoro-3-methylazetidine;hydrochloride is CC1(F)CNC1.Cl.
What is the InChIKey of 3-fluoro-3-methylazetidine;hydrochloride?
The InChIKey is ZKVDMAPGKXMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN.ClH/c1-4(5)2-6-3-4;/h6H,2-3H2,1H3;1H.
What are the key properties of 3-fluoro-3-methylazetidine;hydrochloride?
3-fluoro-3-methylazetidine;hydrochloride has a molecular weight of 125.57 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylazetidine;hydrochloride is sourced from PubChem (CID 71757905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).