2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone

C9H12FNO2 — CID 131155717

IUPAC2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCC1(F)CN(C(=O)C2=CCCO2)C1
InChIInChI=1S/C9H12FNO2/c1-9(10)5-11(6-9)8(12)7-3-2-4-13-7/h3H,2,4-6H2,1H3
InChIKeySNZZCYODVBYTPB-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.86
Rot. Bonds1

About 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone

2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone (PubChem CID 131155717) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
PubChem CID131155717
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCC1(F)CN(C(=O)C2=CCCO2)C1
InChIInChI=1S/C9H12FNO2/c1-9(10)5-11(6-9)8(12)7-3-2-4-13-7/h3H,2,4-6H2,1H3
InChIKeySNZZCYODVBYTPB-UHFFFAOYSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydrofuran-5-yl-(3-fluoroazetidin-1-yl)methanone
CID 130666134
2,3-dihydrofuran-5-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126997749
2,3-Dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone
CID 126999518
N-cyclobutyl-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 130613652
3,4-dihydro-2H-pyran-6-yl-(3-methylazetidin-1-yl)methanone
CID 130622019
2,3-Dihydrofuran-5-yl-(3,3-dimethylazetidin-1-yl)methanone
CID 130666860
2,3-Dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 130682690
N-ethyl-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 130694234
N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 130727660
2,3-Dihydrofuran-5-yl-(2,2-dimethylazetidin-1-yl)methanone
CID 130747195

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone (CID 131155717) is 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone is CC1(F)CN(C(=O)C2=CCCO2)C1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The InChIKey is SNZZCYODVBYTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-9(10)5-11(6-9)8(12)7-3-2-4-13-7/h3H,2,4-6H2,1H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone has a molecular weight of 185.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 131155717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).