3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine

C17H17ClFN — CID 115984672

IUPAC3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
SMILESFc1cccc(CC2(Cc3ccccc3)CNC2)c1Cl
InChIInChI=1S/C17H17ClFN/c18-16-14(7-4-8-15(16)19)10-17(11-20-12-17)9-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyZJCTUYLSXCPKDU-UHFFFAOYSA-N
MW289.78 g/mol
LogP3.85
Rot. Bonds4

About 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine

3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine (PubChem CID 115984672) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
PubChem CID115984672
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
SMILESFc1cccc(CC2(Cc3ccccc3)CNC2)c1Cl
InChIInChI=1S/C17H17ClFN/c18-16-14(7-4-8-15(16)19)10-17(11-20-12-17)9-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyZJCTUYLSXCPKDU-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
CID 112654969
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
3-benzyl-3-[(2-chloro-4-methylphenyl)methyl]azetidine
CID 106870811
3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
CID 79451201
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
CID 112655179
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931
3-(bromomethyl)-3-[(2-chloro-3-fluorophenyl)methyl]oxolane
CID 112654905
3-benzyl-3-[(3-bromo-5-fluorophenyl)methyl]azetidine
CID 79711007
[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 112654253

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine?
The IUPAC name of 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine (CID 115984672) is 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine?
The canonical SMILES for 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine is Fc1cccc(CC2(Cc3ccccc3)CNC2)c1Cl.
What is the InChIKey of 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine?
The InChIKey is ZJCTUYLSXCPKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-16-14(7-4-8-15(16)19)10-17(11-20-12-17)9-13-5-2-1-3-6-13/h1-8,20H,9-12H2.
What are the key properties of 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine?
3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine has a molecular weight of 289.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 115984672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).