N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine

C13H17F2NO3S — CID 43679817

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NCc2ccccc2OC(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C13H17F2NO3S/c1-13(6-7-20(17,18)9-13)16-8-10-4-2-3-5-11(10)19-12(14)15/h2-5,12,16H,6-9H2,1H3
InChIKeyHUDGESLCYADCHJ-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.95
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679817) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679817
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NCc2ccccc2OC(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C13H17F2NO3S/c1-13(6-7-20(17,18)9-13)16-8-10-4-2-3-5-11(10)19-12(14)15/h2-5,12,16H,6-9H2,1H3
InChIKeyHUDGESLCYADCHJ-UHFFFAOYSA-N
XLogP1.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 43679817) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine is CC1(NCc2ccccc2OC(F)F)CCS(=O)(=O)C1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is HUDGESLCYADCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-13(6-7-20(17,18)9-13)16-8-10-4-2-3-5-11(10)19-12(14)15/h2-5,12,16H,6-9H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 305.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).