3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine

C11H13ClFN — CID 112654969

IUPAC3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
SMILESCC1(Cc2cccc(F)c2Cl)CNC1
InChIInChI=1S/C11H13ClFN/c1-11(6-14-7-11)5-8-3-2-4-9(13)10(8)12/h2-4,14H,5-7H2,1H3
InChIKeyMLINWTVNQMPRPX-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.63
Rot. Bonds2

About 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine

3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine (PubChem CID 112654969) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
PubChem CID112654969
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
SMILESCC1(Cc2cccc(F)c2Cl)CNC1
InChIInChI=1S/C11H13ClFN/c1-11(6-14-7-11)5-8-3-2-4-9(13)10(8)12/h2-4,14H,5-7H2,1H3
InChIKeyMLINWTVNQMPRPX-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
CID 115984672
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
CID 112655179
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961208
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 112653239
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510405

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine (CID 112654969) is 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine is CC1(Cc2cccc(F)c2Cl)CNC1.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine?
The InChIKey is MLINWTVNQMPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-11(6-14-7-11)5-8-3-2-4-9(13)10(8)12/h2-4,14H,5-7H2,1H3.
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine?
3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine has a molecular weight of 213.68 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine is sourced from PubChem (CID 112654969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).