3-(5-fluoro-2-methylphenoxy)azetidine

C10H12FNO — CID 84657893

IUPAC3-(5-fluoro-2-methylphenoxy)azetidine
SMILESCc1ccc(F)cc1OC1CNC1
InChIInChI=1S/C10H12FNO/c1-7-2-3-8(11)4-10(7)13-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyZEDUPGGQCAYNTQ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.48
Rot. Bonds2

About 3-(5-fluoro-2-methylphenoxy)azetidine

3-(5-fluoro-2-methylphenoxy)azetidine (PubChem CID 84657893) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenoxy)azetidine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenoxy)azetidine
PubChem CID84657893
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(5-fluoro-2-methylphenoxy)azetidine
SMILESCc1ccc(F)cc1OC1CNC1
InChIInChI=1S/C10H12FNO/c1-7-2-3-8(11)4-10(7)13-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyZEDUPGGQCAYNTQ-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride
CID 67300218
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
3-(2-methyl-5-nitrophenoxy)azetidine
CID 62785560
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
3-(2,3,5-trifluorophenoxy)azetidine
CID 134521245
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine
CID 122436128

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenoxy)azetidine?
The IUPAC name of 3-(5-fluoro-2-methylphenoxy)azetidine (CID 84657893) is 3-(5-fluoro-2-methylphenoxy)azetidine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenoxy)azetidine?
The canonical SMILES for 3-(5-fluoro-2-methylphenoxy)azetidine is Cc1ccc(F)cc1OC1CNC1.
What is the InChIKey of 3-(5-fluoro-2-methylphenoxy)azetidine?
The InChIKey is ZEDUPGGQCAYNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-2-3-8(11)4-10(7)13-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3.
What are the key properties of 3-(5-fluoro-2-methylphenoxy)azetidine?
3-(5-fluoro-2-methylphenoxy)azetidine has a molecular weight of 181.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenoxy)azetidine is sourced from PubChem (CID 84657893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).