2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C7H11F2NO4S — CID 106172592

IUPAC2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC(F)(F)CO)S1(=O)=O
InChIInChI=1S/C7H11F2NO4S/c1-6(2)5(12)10(15(6,13)14)3-7(8,9)4-11/h11H,3-4H2,1-2H3
InChIKeyHMZGKKAAUGZUBF-UHFFFAOYSA-N
MW243.23 g/mol
LogP-0.44
Rot. Bonds3

About 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 106172592) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID106172592
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC(F)(F)CO)S1(=O)=O
InChIInChI=1S/C7H11F2NO4S/c1-6(2)5(12)10(15(6,13)14)3-7(8,9)4-11/h11H,3-4H2,1-2H3
InChIKeyHMZGKKAAUGZUBF-UHFFFAOYSA-N
XLogP-0.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

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Related Compounds

4,4-Dimethyl-1,1-dioxo-2-(3,3,3-trifluoro-2-hydroxypropyl)thiazetidin-3-one
CID 103738804
2-(3,3-Difluoro-2-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 105649167
2-[(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 113259086
2-(3-Fluoro-2-hydroxypropyl)-4,4-dimethyl-1lambda6,2-thiazetidine-1,1,3-trione
CID 165600805
2-(2-Hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886077
2-(3-Hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887303
2-(3-Hydroxybutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104318547
2-(3-Hydroxy-2-methylpropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549772
2-(3-Hydroxy-2,2-dimethylpropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550653
2-(4-Hydroxybutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550738

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 106172592) is 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CC(F)(F)CO)S1(=O)=O.
What is the InChIKey of 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is HMZGKKAAUGZUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c1-6(2)5(12)10(15(6,13)14)3-7(8,9)4-11/h11H,3-4H2,1-2H3.
What are the key properties of 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 243.23 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 106172592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).