(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

C11H13FN2O2 — CID 115299654

IUPAC(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCC1(N)CN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C11H13FN2O2/c1-11(13)5-14(6-11)10(16)8-4-7(12)2-3-9(8)15/h2-4,15H,5-6,13H2,1H3
InChIKeyUWZPAJDIFYOGBY-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.70
Rot. Bonds1

About (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115299654) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115299654
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCC1(N)CN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C11H13FN2O2/c1-11(13)5-14(6-11)10(16)8-4-7(12)2-3-9(8)15/h2-4,15H,5-6,13H2,1H3
InChIKeyUWZPAJDIFYOGBY-UHFFFAOYSA-N
XLogP0.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299657
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479030
(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107673339
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114781415
3-ethyl-1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 115298513
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 113281589

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 115299654) is (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is CC1(N)CN(C(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is UWZPAJDIFYOGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-11(13)5-14(6-11)10(16)8-4-7(12)2-3-9(8)15/h2-4,15H,5-6,13H2,1H3.
What are the key properties of (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 224.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115299654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).