1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone

C13H16FNO — CID 121189085

IUPAC1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC(CF)C2)cc1
InChIInChI=1S/C13H16FNO/c1-10-2-4-11(5-3-10)6-13(16)15-8-12(7-14)9-15/h2-5,12H,6-9H2,1H3
InChIKeyUORIPTZLQXEVHA-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.97
Rot. Bonds3

About 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone

1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 121189085) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID121189085
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC(CF)C2)cc1
InChIInChI=1S/C13H16FNO/c1-10-2-4-11(5-3-10)6-13(16)15-8-12(7-14)9-15/h2-5,12H,6-9H2,1H3
InChIKeyUORIPTZLQXEVHA-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662365
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 118776593
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740456
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone (CID 121189085) is 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CC(CF)C2)cc1.
What is the InChIKey of 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is UORIPTZLQXEVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10-2-4-11(5-3-10)6-13(16)15-8-12(7-14)9-15/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 121189085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).