3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine

C12H15ClFNO — CID 71516473

IUPAC3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
SMILESCCO[C@H](c1ccc(Cl)c(F)c1)C1CNC1
InChIInChI=1S/C12H15ClFNO/c1-2-16-12(9-6-15-7-9)8-3-4-10(13)11(14)5-8/h3-5,9,12,15H,2,6-7H2,1H3/t12-/m1/s1
InChIKeyHCYFTVDZGGCUGP-GFCCVEGCSA-N
MW243.71 g/mol
LogP2.78
Rot. Bonds4

About 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine

3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine (PubChem CID 71516473) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine.

Molecular Properties

Compound Name3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
PubChem CID71516473
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
SMILESCCO[C@H](c1ccc(Cl)c(F)c1)C1CNC1
InChIInChI=1S/C12H15ClFNO/c1-2-16-12(9-6-15-7-9)8-3-4-10(13)11(14)5-8/h3-5,9,12,15H,2,6-7H2,1H3/t12-/m1/s1
InChIKeyHCYFTVDZGGCUGP-GFCCVEGCSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
CID 78094255
3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(S)-(4-chloro-3-fluorophenyl)-(2-methylphenoxy)methyl]azetidine;hydrochloride
CID 71515548
3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 71515620
3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188
3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71515688
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
CID 90217872
3-[(3-chloro-4-fluorophenyl)-(4-methylphenoxy)methyl]azetidine;hydrochloride
CID 90217797
(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107993524
3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine
CID 71516194
3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine
CID 83912664

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine?
The IUPAC name of 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine (CID 71516473) is 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine.
What is the SMILES notation for 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine?
The canonical SMILES for 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine is CCO[C@H](c1ccc(Cl)c(F)c1)C1CNC1.
What is the InChIKey of 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine?
The InChIKey is HCYFTVDZGGCUGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-16-12(9-6-15-7-9)8-3-4-10(13)11(14)5-8/h3-5,9,12,15H,2,6-7H2,1H3/t12-/m1/s1.
What are the key properties of 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine?
3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine has a molecular weight of 243.71 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine is sourced from PubChem (CID 71516473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).