2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

C18H23ClFNO3 — CID 91915813

IUPAC2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(=O)Cc2c(F)cccc2Cl)CC12CCOCC2
InChIInChI=1S/C18H23ClFNO3/c1-23-11-13-10-21(12-18(13)5-7-24-8-6-18)17(22)9-14-15(19)3-2-4-16(14)20/h2-4,13H,5-12H2,1H3
InChIKeyOCFKWBVMUWTPAZ-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.92
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91915813) has the molecular formula C18H23ClFNO3 and a molecular weight of 355.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID91915813
Molecular FormulaC18H23ClFNO3
Molecular Weight355.84 g/mol
Exact Mass355.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(=O)Cc2c(F)cccc2Cl)CC12CCOCC2
InChIInChI=1S/C18H23ClFNO3/c1-23-11-13-10-21(12-18(13)5-7-24-8-6-18)17(22)9-14-15(19)3-2-4-16(14)20/h2-4,13H,5-12H2,1H3
InChIKeyOCFKWBVMUWTPAZ-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 1094120
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 2963116
2-(2-Chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150833
2-[{[(3R*,4R*)-1-[(2-chloro-6-fluorophenyl)acetyl]-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(methyl)amino]ethanol
CID 72880905
1-{[(3R*,4R*)-1-[(2-chloro-4-fluorophenyl)acetyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}piperidin-4-ol
CID 72927806
2-(2-Chloro-6-fluorophenyl)-N-methyl-N-[(oxan-4-YL)methyl]acetamide
CID 91905262
1-[2-Acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-YL]-2-(3-fluorophenyl)ethan-1-one
CID 91910534
2-(2-Chloro-6-fluorophenyl)-N-[(oxolan-3-YL)methyl]-N-propylacetamide
CID 91915467
2-(3-Fluorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone
CID 91922042
1-[8-(2-Chloro-4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91922140
1-[(3aS,7aR)-3a-(methoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-3-(2-chlorophenyl)propan-1-one
CID 97422570
1-[2-(2-Chloro-6-fluorophenyl)acetyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203504

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 91915813) is 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(=O)Cc2c(F)cccc2Cl)CC12CCOCC2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is OCFKWBVMUWTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFNO3/c1-23-11-13-10-21(12-18(13)5-7-24-8-6-18)17(22)9-14-15(19)3-2-4-16(14)20/h2-4,13H,5-12H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 355.84 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91915813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).