3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine

C11H14FNO — CID 135395442

IUPAC3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(CN2CC(F)C2)cc1
InChIInChI=1S/C11H14FNO/c1-14-11-4-2-9(3-5-11)6-13-7-10(12)8-13/h2-5,10H,6-8H2,1H3
InChIKeyXGGMOJYRRXYOQU-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.85
Rot. Bonds3

About 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine

3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine (PubChem CID 135395442) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
PubChem CID135395442
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(CN2CC(F)C2)cc1
InChIInChI=1S/C11H14FNO/c1-14-11-4-2-9(3-5-11)6-13-7-10(12)8-13/h2-5,10H,6-8H2,1H3
InChIKeyXGGMOJYRRXYOQU-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
9,9-difluoro-3-[(4-methoxyphenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
CID 129276124
3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 138715501
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline
CID 170160185
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
5-[(4-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155854267

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine?
The IUPAC name of 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine (CID 135395442) is 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine.
What is the SMILES notation for 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine?
The canonical SMILES for 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine is COc1ccc(CN2CC(F)C2)cc1.
What is the InChIKey of 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine?
The InChIKey is XGGMOJYRRXYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11-4-2-9(3-5-11)6-13-7-10(12)8-13/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine?
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine has a molecular weight of 195.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine is sourced from PubChem (CID 135395442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).