(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone

C13H15F2NO2 — CID 166828507

IUPAC(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
SMILESCCc1ccc(C(=O)N2CC(F)(F)C2)cc1OC
InChIInChI=1S/C13H15F2NO2/c1-3-9-4-5-10(6-11(9)18-2)12(17)16-7-13(14,15)8-16/h4-6H,3,7-8H2,1-2H3
InChIKeyOYYPNWRPOTXGCU-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.35
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone

(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone (PubChem CID 166828507) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
PubChem CID166828507
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
SMILESCCc1ccc(C(=O)N2CC(F)(F)C2)cc1OC
InChIInChI=1S/C13H15F2NO2/c1-3-9-4-5-10(6-11(9)18-2)12(17)16-7-13(14,15)8-16/h4-6H,3,7-8H2,1-2H3
InChIKeyOYYPNWRPOTXGCU-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367
(3,3-difluoroazetidin-1-yl)-[4-[3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-hydroxy-N-methylanilino]-3-hydroxyphenyl]methanone
CID 163576858
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 154762450
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
[4-[2-[(3,3-difluorocyclobutyl)methoxy]ethyl]-3-methoxyphenyl]-[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methanone
CID 162614623
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
(1R,5S)-3-(3-methoxy-4-propan-2-yloxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135093933
(3-amino-3-propan-2-ylazetidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732255
2-bromo-1-(4-ethyl-3-methoxyphenyl)-4-methylpentan-1-one
CID 167489135

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone (CID 166828507) is (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone is CCc1ccc(C(=O)N2CC(F)(F)C2)cc1OC.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone?
The InChIKey is OYYPNWRPOTXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-3-9-4-5-10(6-11(9)18-2)12(17)16-7-13(14,15)8-16/h4-6H,3,7-8H2,1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone?
(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone has a molecular weight of 255.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone is sourced from PubChem (CID 166828507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).