2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C7H12F2N2O3S — CID 114384580

IUPAC2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC(F)(F)CN)S1(=O)=O
InChIInChI=1S/C7H12F2N2O3S/c1-6(2)5(12)11(15(6,13)14)4-7(8,9)3-10/h3-4,10H2,1-2H3
InChIKeyAPWQRSJXFSIGEF-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.47
Rot. Bonds3

About 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 114384580) has the molecular formula C7H12F2N2O3S and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID114384580
Molecular FormulaC7H12F2N2O3S
Molecular Weight242.25 g/mol
Exact Mass242.05
IUPAC Name2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC(F)(F)CN)S1(=O)=O
InChIInChI=1S/C7H12F2N2O3S/c1-6(2)5(12)11(15(6,13)14)4-7(8,9)3-10/h3-4,10H2,1-2H3
InChIKeyAPWQRSJXFSIGEF-UHFFFAOYSA-N
XLogP-0.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 114384580) is 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CC(F)(F)CN)S1(=O)=O.
What is the InChIKey of 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is APWQRSJXFSIGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O3S/c1-6(2)5(12)11(15(6,13)14)4-7(8,9)3-10/h3-4,10H2,1-2H3.
What are the key properties of 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 242.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,2-difluoropropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 114384580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).