3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine

C11H13ClFNO — CID 102616694

IUPAC3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine
SMILESCC1(OCc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C11H13ClFNO/c1-11(6-14-7-11)15-5-8-4-9(13)2-3-10(8)12/h2-4,14H,5-7H2,1H3
InChIKeyBIWWIGMFFMGPKD-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.36
Rot. Bonds3

About 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine

3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine (PubChem CID 102616694) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine
PubChem CID102616694
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine
SMILESCC1(OCc2cc(F)ccc2Cl)CNC1
InChIInChI=1S/C11H13ClFNO/c1-11(6-14-7-11)15-5-8-4-9(13)2-3-10(8)12/h2-4,14H,5-7H2,1H3
InChIKeyBIWWIGMFFMGPKD-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dichlorophenyl)methoxy]-3-methylazetidine
CID 83065905
3-[(2-chloro-4-fluorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655449
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine
CID 102616994
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
3-(5-fluoro-2-methylphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655430
(2-chloro-5-fluorophenyl)methyl methanesulfonate
CID 139022578
1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102615902
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 102620737

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine (CID 102616694) is 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine is CC1(OCc2cc(F)ccc2Cl)CNC1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine?
The InChIKey is BIWWIGMFFMGPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-11(6-14-7-11)15-5-8-4-9(13)2-3-10(8)12/h2-4,14H,5-7H2,1H3.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine?
3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine has a molecular weight of 229.68 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methoxy]-3-methylazetidine is sourced from PubChem (CID 102616694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).