1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine

C13H17ClIN — CID 107641033

IUPAC1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine
SMILESCCC1(CC)CN(c2ccc(Cl)cc2I)C1
InChIInChI=1S/C13H17ClIN/c1-3-13(4-2)8-16(9-13)12-6-5-10(14)7-11(12)15/h5-7H,3-4,8-9H2,1-2H3
InChIKeyWRNVCWKIWJNCIZ-UHFFFAOYSA-N
MW349.64 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine

1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine (PubChem CID 107641033) has the molecular formula C13H17ClIN and a molecular weight of 349.64 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine
PubChem CID107641033
Molecular FormulaC13H17ClIN
Molecular Weight349.64 g/mol
Exact Mass349.01
IUPAC Name1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine
SMILESCCC1(CC)CN(c2ccc(Cl)cc2I)C1
InChIInChI=1S/C13H17ClIN/c1-3-13(4-2)8-16(9-13)12-6-5-10(14)7-11(12)15/h5-7H,3-4,8-9H2,1-2H3
InChIKeyWRNVCWKIWJNCIZ-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine (CID 107641033) is 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine is CCC1(CC)CN(c2ccc(Cl)cc2I)C1.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine?
The InChIKey is WRNVCWKIWJNCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClIN/c1-3-13(4-2)8-16(9-13)12-6-5-10(14)7-11(12)15/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine?
1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine has a molecular weight of 349.64 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine is sourced from PubChem (CID 107641033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).