3-(2,6-dimethoxyphenyl)-3-fluoroazetidine

C11H14FNO2 — CID 116811435

IUPAC3-(2,6-dimethoxyphenyl)-3-fluoroazetidine
SMILESCOc1cccc(OC)c1C1(F)CNC1
InChIInChI=1S/C11H14FNO2/c1-14-8-4-3-5-9(15-2)10(8)11(12)6-13-7-11/h3-5,13H,6-7H2,1-2H3
InChIKeyFFROZPNRINJHMZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.47
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine

3-(2,6-dimethoxyphenyl)-3-fluoroazetidine (PubChem CID 116811435) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-3-fluoroazetidine
PubChem CID116811435
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(2,6-dimethoxyphenyl)-3-fluoroazetidine
SMILESCOc1cccc(OC)c1C1(F)CNC1
InChIInChI=1S/C11H14FNO2/c1-14-8-4-3-5-9(15-2)10(8)11(12)6-13-7-11/h3-5,13H,6-7H2,1-2H3
InChIKeyFFROZPNRINJHMZ-UHFFFAOYSA-N
XLogP1.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
CID 116811436
3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 116811438
3-(2-fluoro-3-methoxyphenyl)azetidin-3-ol
CID 82008577
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84722917
2,6-dimethoxyaniline;ethane
CID 145233133
2,2,3,3-tetrafluoro-4-methoxy-1H-indene
CID 86255415
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777
7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
CID 126844423

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine (CID 116811435) is 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine is COc1cccc(OC)c1C1(F)CNC1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine?
The InChIKey is FFROZPNRINJHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-14-8-4-3-5-9(15-2)10(8)11(12)6-13-7-11/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine?
3-(2,6-dimethoxyphenyl)-3-fluoroazetidine has a molecular weight of 211.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-3-fluoroazetidine is sourced from PubChem (CID 116811435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).