5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane

C10H10F2N2O2S — CID 176950619

IUPAC5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane
SMILESCC.Cc1nc2cc3c(nc2s1)OC(F)(F)O3
InChIInChI=1S/C8H4F2N2O2S.C2H6/c1-3-11-4-2-5-6(12-7(4)15-3)14-8(9,10)13-5;1-2/h2H,1H3;1-2H3
InChIKeyPWQMYERCVBFKJO-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.35
Rot. Bonds

About 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane

5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane (PubChem CID 176950619) has the molecular formula C10H10F2N2O2S and a molecular weight of 260.26 g/mol. Its IUPAC name is 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane.

Molecular Properties

Compound Name5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane
PubChem CID176950619
Molecular FormulaC10H10F2N2O2S
Molecular Weight260.26 g/mol
Exact Mass260.04
IUPAC Name5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane
SMILESCC.Cc1nc2cc3c(nc2s1)OC(F)(F)O3
InChIInChI=1S/C8H4F2N2O2S.C2H6/c1-3-11-4-2-5-6(12-7(4)15-3)14-8(9,10)13-5;1-2/h2H,1H3;1-2H3
InChIKeyPWQMYERCVBFKJO-UHFFFAOYSA-N
XLogP3.35
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane?
The IUPAC name of 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane (CID 176950619) is 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane.
What is the SMILES notation for 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane?
The canonical SMILES for 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane is CC.Cc1nc2cc3c(nc2s1)OC(F)(F)O3.
What is the InChIKey of 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane?
The InChIKey is PWQMYERCVBFKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2S.C2H6/c1-3-11-4-2-5-6(12-7(4)15-3)14-8(9,10)13-5;1-2/h2H,1H3;1-2H3.
What are the key properties of 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane?
5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane has a molecular weight of 260.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-11-methyl-4,6-dioxa-12-thia-2,10-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraene;ethane is sourced from PubChem (CID 176950619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).