2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone

C11H11ClFNO2 — CID 166415195

IUPAC2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
SMILESO=C(CCl)N1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C11H11ClFNO2/c12-5-11(15)14-6-10(7-14)16-9-3-1-2-8(13)4-9/h1-4,10H,5-7H2
InChIKeyCKSKPFSFJKZBLU-UHFFFAOYSA-N
MW243.66 g/mol
LogP1.65
Rot. Bonds3

About 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone

2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone (PubChem CID 166415195) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
PubChem CID166415195
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
SMILESO=C(CCl)N1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C11H11ClFNO2/c12-5-11(15)14-6-10(7-14)16-9-3-1-2-8(13)4-9/h1-4,10H,5-7H2
InChIKeyCKSKPFSFJKZBLU-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763
1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-ethylsulfanylethanone
CID 90652097
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100748397
3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
CID 15042230
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone
CID 77090716
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-(3-fluorophenoxy)-1-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 154837948
[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol
CID 141310050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone (CID 166415195) is 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone is O=C(CCl)N1CC(Oc2cccc(F)c2)C1.
What is the InChIKey of 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone?
The InChIKey is CKSKPFSFJKZBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-5-11(15)14-6-10(7-14)16-9-3-1-2-8(13)4-9/h1-4,10H,5-7H2.
What are the key properties of 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone?
2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone has a molecular weight of 243.66 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone is sourced from PubChem (CID 166415195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).