2-[(4-fluorophenoxy)methyl]azetidine

C10H12FNO — CID 115070930

IUPAC2-[(4-fluorophenoxy)methyl]azetidine
SMILESFc1ccc(OCC2CCN2)cc1
InChIInChI=1S/C10H12FNO/c11-8-1-3-10(4-2-8)13-7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyNWNYHTQYRHXUFC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.57
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]azetidine

2-[(4-fluorophenoxy)methyl]azetidine (PubChem CID 115070930) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]azetidine
PubChem CID115070930
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-[(4-fluorophenoxy)methyl]azetidine
SMILESFc1ccc(OCC2CCN2)cc1
InChIInChI=1S/C10H12FNO/c11-8-1-3-10(4-2-8)13-7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyNWNYHTQYRHXUFC-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-2-ylmethoxy)phenol
CID 115070936
5-[[(2S)-azetidin-2-yl]methoxy]-2-(fluoromethyl)pyridine
CID 54447351
5-(azetidin-2-ylmethoxy)-2-bromopyridine
CID 22451668
(2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine
CID 143625559
3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
CID 46182395
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10241442
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
CID 45116350
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]azetidine?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]azetidine (CID 115070930) is 2-[(4-fluorophenoxy)methyl]azetidine.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]azetidine?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]azetidine is Fc1ccc(OCC2CCN2)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]azetidine?
The InChIKey is NWNYHTQYRHXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-1-3-10(4-2-8)13-7-9-5-6-12-9/h1-4,9,12H,5-7H2.
What are the key properties of 2-[(4-fluorophenoxy)methyl]azetidine?
2-[(4-fluorophenoxy)methyl]azetidine has a molecular weight of 181.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]azetidine is sourced from PubChem (CID 115070930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).