3-(3-fluorophenoxy)-1-methylazetidine

C10H12FNO — CID 118403576

IUPAC3-(3-fluorophenoxy)-1-methylazetidine
SMILESCN1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C10H12FNO/c1-12-6-10(7-12)13-9-4-2-3-8(11)5-9/h2-5,10H,6-7H2,1H3
InChIKeyNZSSGHJEOMXJHW-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.52
Rot. Bonds2

About 3-(3-fluorophenoxy)-1-methylazetidine

3-(3-fluorophenoxy)-1-methylazetidine (PubChem CID 118403576) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-methylazetidine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-methylazetidine
PubChem CID118403576
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(3-fluorophenoxy)-1-methylazetidine
SMILESCN1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C10H12FNO/c1-12-6-10(7-12)13-9-4-2-3-8(11)5-9/h2-5,10H,6-7H2,1H3
InChIKeyNZSSGHJEOMXJHW-UHFFFAOYSA-N
XLogP1.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3-(3-methylcyclobutyl)oxybenzene
CID 142422559
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
CID 166415195
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100748397
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981142
[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol
CID 141310050
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117376219
5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole
CID 150765485

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-methylazetidine?
The IUPAC name of 3-(3-fluorophenoxy)-1-methylazetidine (CID 118403576) is 3-(3-fluorophenoxy)-1-methylazetidine.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-methylazetidine?
The canonical SMILES for 3-(3-fluorophenoxy)-1-methylazetidine is CN1CC(Oc2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-methylazetidine?
The InChIKey is NZSSGHJEOMXJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-6-10(7-12)13-9-4-2-3-8(11)5-9/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-(3-fluorophenoxy)-1-methylazetidine?
3-(3-fluorophenoxy)-1-methylazetidine has a molecular weight of 181.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-methylazetidine is sourced from PubChem (CID 118403576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).