2-(2,6-dichlorophenyl)-3,3-dimethylazetidine

C11H13Cl2N — CID 130574989

IUPAC2-(2,6-dichlorophenyl)-3,3-dimethylazetidine
SMILESCC1(C)CNC1c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N/c1-11(2)6-14-10(11)9-7(12)4-3-5-8(9)13/h3-5,10,14H,6H2,1-2H3
InChIKeyZJEFRIWOUQYRII-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.66
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine

2-(2,6-dichlorophenyl)-3,3-dimethylazetidine (PubChem CID 130574989) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3,3-dimethylazetidine
PubChem CID130574989
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name2-(2,6-dichlorophenyl)-3,3-dimethylazetidine
SMILESCC1(C)CNC1c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N/c1-11(2)6-14-10(11)9-7(12)4-3-5-8(9)13/h3-5,10,14H,6H2,1-2H3
InChIKeyZJEFRIWOUQYRII-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine?
The IUPAC name of 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine (CID 130574989) is 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine is CC1(C)CNC1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine?
The InChIKey is ZJEFRIWOUQYRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-11(2)6-14-10(11)9-7(12)4-3-5-8(9)13/h3-5,10,14H,6H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine?
2-(2,6-dichlorophenyl)-3,3-dimethylazetidine has a molecular weight of 230.14 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3,3-dimethylazetidine is sourced from PubChem (CID 130574989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).