2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone

C14H16F3NO2 — CID 119101595

IUPAC2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CC(OCC(F)(F)F)C2)c1
InChIInChI=1S/C14H16F3NO2/c1-10-3-2-4-11(5-10)6-13(19)18-7-12(8-18)20-9-14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyLFLIVIAJWSVZST-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.33
Rot. Bonds4

About 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone

2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone (PubChem CID 119101595) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone
PubChem CID119101595
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CC(OCC(F)(F)F)C2)c1
InChIInChI=1S/C14H16F3NO2/c1-10-3-2-4-11(5-10)6-13(19)18-7-12(8-18)20-9-14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyLFLIVIAJWSVZST-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone
CID 121018911
1-(3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103213910
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-[(3R,4R)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134714704
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
furan-2-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 119101589
2-(3-bromophenyl)-1-[3-(2-methoxyethoxy)azetidin-1-yl]ethanone
CID 71979960
3-(4-methylsulfonylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propan-1-one
CID 119101614
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone
CID 90593727
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79737478

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone (CID 119101595) is 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone is Cc1cccc(CC(=O)N2CC(OCC(F)(F)F)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone?
The InChIKey is LFLIVIAJWSVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-10-3-2-4-11(5-10)6-13(19)18-7-12(8-18)20-9-14(15,16)17/h2-5,12H,6-9H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone?
2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone has a molecular weight of 287.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethanone is sourced from PubChem (CID 119101595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).