3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide

C10H14F2N2O2S — CID 90162089

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide
SMILESCC(C)n1nc(C(C)(F)F)c2c1CS(=O)(=O)C2
InChIInChI=1S/C10H14F2N2O2S/c1-6(2)14-8-5-17(15,16)4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3
InChIKeyPGPGHWYZVDBNBX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.00
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide

3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide (PubChem CID 90162089) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide
PubChem CID90162089
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide
SMILESCC(C)n1nc(C(C)(F)F)c2c1CS(=O)(=O)C2
InChIInChI=1S/C10H14F2N2O2S/c1-6(2)14-8-5-17(15,16)4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3
InChIKeyPGPGHWYZVDBNBX-UHFFFAOYSA-N
XLogP2.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide (CID 90162089) is 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide is CC(C)n1nc(C(C)(F)F)c2c1CS(=O)(=O)C2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide?
The InChIKey is PGPGHWYZVDBNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-6(2)14-8-5-17(15,16)4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide?
3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide has a molecular weight of 264.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide is sourced from PubChem (CID 90162089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).