(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone

C12H14FNO2 — CID 126768552

IUPAC(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOCC1CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-16-8-11-6-7-14(11)12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyHJDATUNJMMZFOL-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.69
Rot. Bonds3

About (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone

(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone (PubChem CID 126768552) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
PubChem CID126768552
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOCC1CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-16-8-11-6-7-14(11)12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyHJDATUNJMMZFOL-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl [(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methanesulfonate
CID 87870003
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118794181
(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 164642836
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136545306
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
(4-fluorophenyl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134077951

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone (CID 126768552) is (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone is COCC1CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone?
The InChIKey is HJDATUNJMMZFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-8-11-6-7-14(11)12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone?
(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone has a molecular weight of 223.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 126768552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).