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

C16H20FNO2 — CID 50969965

IUPAC[2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC2c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H20FNO2/c1-20-11-16(8-2-9-16)15(19)18-10-7-14(18)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyFFXANCFLMKFKTK-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.92
Rot. Bonds4

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

[2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 50969965) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID50969965
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name[2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC2c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H20FNO2/c1-20-11-16(8-2-9-16)15(19)18-10-7-14(18)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyFFXANCFLMKFKTK-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Fluorophenyl)-1-(3-methoxypropanoyl)piperidine
CID 70707579
1-[2-[(3-Fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-3-methoxypropan-1-one
CID 97472448
Methyl rel-(2R,3S)-1-benzyl-2-(4-fluorophenyl)-3-methyl-4-oxo-3-azetidinecarboxylate
CID 146167684
methyl (2R,3S)-2-(3-fluorophenyl)-1-methyl-4-oxo-3-[(E)-2-phenylethenyl]azetidine-3-carboxylate
CID 164682578
methyl (2S,3S)-2-(2-fluorophenyl)-1-methyl-4-oxo-3-[(E)-2-phenylethenyl]azetidine-3-carboxylate
CID 164682579
methyl (2R,3S)-2-(4-fluorophenyl)-1-methyl-4-oxo-3-[(E)-2-phenylethenyl]azetidine-3-carboxylate
CID 164682688
methyl (2R,3S)-2-(4-fluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-4-oxoazetidine-3-carboxylate
CID 164682705
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 46980113
1-(3-Ethylpentanoyl)-2-(4-fluorophenyl)azetidine
CID 56864181
N-[1-(4-fluorophenyl)ethyl]-2-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]-N-methylacetamide
CID 72115390
N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125172799
2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 164630321

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 50969965) is [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCC2c2ccc(F)cc2)CCC1.
What is the InChIKey of [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is FFXANCFLMKFKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-20-11-16(8-2-9-16)15(19)18-10-7-14(18)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 277.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)azetidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 50969965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).