2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one

C7H10FNO — CID 169133919

IUPAC2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one
SMILESC=C(F)C(=O)N1CC(C)C1
InChIInChI=1S/C7H10FNO/c1-5-3-9(4-5)7(10)6(2)8/h5H,2-4H2,1H3
InChIKeyIMZLHFZDAOYRBP-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.95
Rot. Bonds1

About 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one

2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one (PubChem CID 169133919) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one
PubChem CID169133919
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one
SMILESC=C(F)C(=O)N1CC(C)C1
InChIInChI=1S/C7H10FNO/c1-5-3-9(4-5)7(10)6(2)8/h5H,2-4H2,1H3
InChIKeyIMZLHFZDAOYRBP-UHFFFAOYSA-N
XLogP0.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-fluoroprop-2-enamide
CID 15129199
4-Fluoro-1-(2-methylprop-2-enoyl)azetidin-2-one
CID 58165598
1-[3-(Fluoromethyl)azetidin-1-yl]ethan-1-one
CID 121188787
(Z)-1-(3-fluoro-3-methylazetidin-1-yl)but-2-en-1-one
CID 139455368
1-[3-[(Dimethylamino)methyl]-3-fluoroazetidin-1-yl]prop-2-en-1-one
CID 140960099
N-ethyl-2-fluoro-N-methylprop-2-enamide
CID 148266259
2-fluoro-N-methyl-N-propylprop-2-enamide
CID 156058255
1-(Azetidin-1-yl)-2-fluoroprop-2-en-1-one
CID 163223796
2-Fluoro-1-(3-propan-2-ylazetidin-1-yl)prop-2-en-1-one
CID 176827568
1-(3,3-Difluoroazetidin-1-yl)-2-methylprop-2-en-1-one
CID 176972446
1-(3-Ethyl-3-fluoroazetidin-1-yl)prop-2-en-1-one
CID 178119920
1-(Azetidin-1-yl)-2-methylprop-2-en-1-one
CID 22007221

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one?
The IUPAC name of 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one (CID 169133919) is 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one is C=C(F)C(=O)N1CC(C)C1.
What is the InChIKey of 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one?
The InChIKey is IMZLHFZDAOYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5-3-9(4-5)7(10)6(2)8/h5H,2-4H2,1H3.
What are the key properties of 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one?
2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one has a molecular weight of 143.16 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-methylazetidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 169133919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).