3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine

C11H13ClFN — CID 130901330

IUPAC3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine
SMILESFc1cccc(Cl)c1CCC1CNC1
InChIInChI=1S/C11H13ClFN/c12-10-2-1-3-11(13)9(10)5-4-8-6-14-7-8/h1-3,8,14H,4-7H2
InChIKeySCDZXFUBNKIZQE-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.63
Rot. Bonds3

About 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine

3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine (PubChem CID 130901330) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine
PubChem CID130901330
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine
SMILESFc1cccc(Cl)c1CCC1CNC1
InChIInChI=1S/C11H13ClFN/c12-10-2-1-3-11(13)9(10)5-4-8-6-14-7-8/h1-3,8,14H,4-7H2
InChIKeySCDZXFUBNKIZQE-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[(2,6-dichlorophenyl)methyl]azetidine
CID 16780191
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68713551
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572464
(3S,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540400
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
CID 83925307

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine?
The IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine (CID 130901330) is 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine.
What is the SMILES notation for 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine?
The canonical SMILES for 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine is Fc1cccc(Cl)c1CCC1CNC1.
What is the InChIKey of 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine?
The InChIKey is SCDZXFUBNKIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-2-1-3-11(13)9(10)5-4-8-6-14-7-8/h1-3,8,14H,4-7H2.
What are the key properties of 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine?
3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine has a molecular weight of 213.68 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine is sourced from PubChem (CID 130901330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).