azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone

C11H12FNO — CID 130163592

IUPACazetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC1
InChIInChI=1S/C11H12FNO/c1-8-7-9(12)3-4-10(8)11(14)13-5-2-6-13/h3-4,7H,2,5-6H2,1H3
InChIKeyDTZOKFSENLOACX-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.98
Rot. Bonds1

About azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone

azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone (PubChem CID 130163592) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
PubChem CID130163592
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Nameazetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC1
InChIInChI=1S/C11H12FNO/c1-8-7-9(12)3-4-10(8)11(14)13-5-2-6-13/h3-4,7H,2,5-6H2,1H3
InChIKeyDTZOKFSENLOACX-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
(4-fluoro-2-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130766014
(4-fluoro-2-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313557
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(4-fluoro-2-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115768398
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702471
2-(azetidine-1-carbonyl)-5-fluorobenzamide
CID 70098132
(4-fluoro-2-methylphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 91829336

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone (CID 130163592) is azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is DTZOKFSENLOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-7-9(12)3-4-10(8)11(14)13-5-2-6-13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone?
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 193.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 130163592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).