3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine

C11H14ClNO — CID 71516194

IUPAC3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine
SMILESCO[C@@H](c1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C11H14ClNO/c1-14-11(9-6-13-7-9)8-2-4-10(12)5-3-8/h2-5,9,11,13H,6-7H2,1H3/t11-/m0/s1
InChIKeyATIFLIBBENKCKM-NSHDSACASA-N
MW211.69 g/mol
LogP2.25
Rot. Bonds3

About 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine

3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine (PubChem CID 71516194) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine.

Molecular Properties

Compound Name3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine
PubChem CID71516194
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine
SMILESCO[C@@H](c1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C11H14ClNO/c1-14-11(9-6-13-7-9)8-2-4-10(12)5-3-8/h2-5,9,11,13H,6-7H2,1H3/t11-/m0/s1
InChIKeyATIFLIBBENKCKM-NSHDSACASA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine?
The IUPAC name of 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine (CID 71516194) is 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine.
What is the SMILES notation for 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine?
The canonical SMILES for 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine is CO[C@@H](c1ccc(Cl)cc1)C1CNC1.
What is the InChIKey of 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine?
The InChIKey is ATIFLIBBENKCKM-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-11(9-6-13-7-9)8-2-4-10(12)5-3-8/h2-5,9,11,13H,6-7H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine?
3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine has a molecular weight of 211.69 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine is sourced from PubChem (CID 71516194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).