3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride

C10H13ClFNO — CID 162335096

IUPAC3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride
SMILESCOC1(c2ccc(F)cc2)CNC1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-13-10(6-12-7-10)8-2-4-9(11)5-3-8;/h2-5,12H,6-7H2,1H3;1H
InChIKeyLFNLQYCAXAGUSX-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.69
Rot. Bonds2

About 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride

3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride (PubChem CID 162335096) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride
PubChem CID162335096
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride
SMILESCOC1(c2ccc(F)cc2)CNC1.Cl
InChIInChI=1S/C10H12FNO.ClH/c1-13-10(6-12-7-10)8-2-4-9(11)5-3-8;/h2-5,12H,6-7H2,1H3;1H
InChIKeyLFNLQYCAXAGUSX-UHFFFAOYSA-N
XLogP1.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fludorex
CID 27139
2-Methyl-2-phenylmorpholine
CID 3066037
1-Methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride
CID 71727991
3-(Benzyloxy)-3-phenylazetidine hydrochloride
CID 71727858
2-Methyl-2-phenylmorpholine hydrochloride
CID 3066036
2-(4-Fluorophenyl)-2-methoxyethan-1-amine--hydrogen chloride (1/1)
CID 3046413
2-(4-Fluorophenyl)-2-methylmorpholine--hydrogen chloride (1/1)
CID 3066046
2-(4-Fluorophenyl)morpholine
CID 3749227
2-(2-Fluorophenyl)morpholine
CID 24271513
2-Methoxy-2-phenylpropan-1-amine
CID 53276254
2-(3-Fluorophenyl)morpholine
CID 12343540
Pirepemat
CID 135381565

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride (CID 162335096) is 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride is COC1(c2ccc(F)cc2)CNC1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride?
The InChIKey is LFNLQYCAXAGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c1-13-10(6-12-7-10)8-2-4-9(11)5-3-8;/h2-5,12H,6-7H2,1H3;1H.
What are the key properties of 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride?
3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methoxyazetidine;hydrochloride is sourced from PubChem (CID 162335096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).