[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone

C15H19F2NO3 — CID 154762450

IUPAC[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(O)(C(F)F)C2)cc1C(C)C
InChIInChI=1S/C15H19F2NO3/c1-9(2)11-6-10(4-5-12(11)21-3)13(19)18-7-15(20,8-18)14(16)17/h4-6,9,14,20H,7-8H2,1-3H3
InChIKeyGIJSPCMHXJDKDK-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.27
Rot. Bonds4

About [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone

[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone (PubChem CID 154762450) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
PubChem CID154762450
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(O)(C(F)F)C2)cc1C(C)C
InChIInChI=1S/C15H19F2NO3/c1-9(2)11-6-10(4-5-12(11)21-3)13(19)18-7-15(20,8-18)14(16)17/h4-6,9,14,20H,7-8H2,1-3H3
InChIKeyGIJSPCMHXJDKDK-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
CID 166828507
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732255
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
(1R,5S)-3-(3-methoxy-4-propan-2-yloxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135093933
2-[3-(difluoromethyl)-4-methoxyphenyl]-2-oxoacetic acid
CID 117331895

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone?
The IUPAC name of [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone (CID 154762450) is [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone.
What is the SMILES notation for [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone?
The canonical SMILES for [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone is COc1ccc(C(=O)N2CC(O)(C(F)F)C2)cc1C(C)C.
What is the InChIKey of [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone?
The InChIKey is GIJSPCMHXJDKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-9(2)11-6-10(4-5-12(11)21-3)13(19)18-7-15(20,8-18)14(16)17/h4-6,9,14,20H,7-8H2,1-3H3.
What are the key properties of [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone?
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone has a molecular weight of 299.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 154762450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).