(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C13H16FNO3 — CID 106812740

IUPAC(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2ccc(F)cc2O)C1
InChIInChI=1S/C13H16FNO3/c1-8(2)13(18)6-15(7-13)12(17)10-4-3-9(14)5-11(10)16/h3-5,8,16,18H,6-7H2,1-2H3
InChIKeyGTFDTFDFMZHELW-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.37
Rot. Bonds2

About (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 106812740) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID106812740
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2ccc(F)cc2O)C1
InChIInChI=1S/C13H16FNO3/c1-8(2)13(18)6-15(7-13)12(17)10-4-3-9(14)5-11(10)16/h3-5,8,16,18H,6-7H2,1-2H3
InChIKeyGTFDTFDFMZHELW-UHFFFAOYSA-N
XLogP1.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 81477658
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830121
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
CID 107014936
(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210819
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299654
(7,7-dimethyl-1,4-thiazepan-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107300693
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 107013584
(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 106812736
(2-amino-3-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210813

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 106812740) is (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)c2ccc(F)cc2O)C1.
What is the InChIKey of (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is GTFDTFDFMZHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(2)13(18)6-15(7-13)12(17)10-4-3-9(14)5-11(10)16/h3-5,8,16,18H,6-7H2,1-2H3.
What are the key properties of (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 253.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 106812740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).