3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine

C18H19ClFNO2 — CID 58405151

IUPAC3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine
SMILESCCN1CC(Oc2cc(F)ccc2OCc2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClFNO2/c1-2-21-10-16(11-21)23-18-9-15(20)6-7-17(18)22-12-13-4-3-5-14(19)8-13/h3-9,16H,2,10-12H2,1H3
InChIKeyZQMJGDXJXPISGT-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.14
Rot. Bonds6

About 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine

3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine (PubChem CID 58405151) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine
PubChem CID58405151
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine
SMILESCCN1CC(Oc2cc(F)ccc2OCc2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClFNO2/c1-2-21-10-16(11-21)23-18-9-15(20)6-7-17(18)22-12-13-4-3-5-14(19)8-13/h3-9,16H,2,10-12H2,1H3
InChIKeyZQMJGDXJXPISGT-UHFFFAOYSA-N
XLogP4.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
1-tert-butyl-3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 46214973
N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695985
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 60799532
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine?
The IUPAC name of 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine (CID 58405151) is 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine is CCN1CC(Oc2cc(F)ccc2OCc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine?
The InChIKey is ZQMJGDXJXPISGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-2-21-10-16(11-21)23-18-9-15(20)6-7-17(18)22-12-13-4-3-5-14(19)8-13/h3-9,16H,2,10-12H2,1H3.
What are the key properties of 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine?
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine has a molecular weight of 335.81 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]-1-ethylazetidine is sourced from PubChem (CID 58405151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).