2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole

C9H11F3N2O — CID 90162098

IUPAC2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole
SMILESCC(C)n1nc2c(c1C(F)(F)F)COC2
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-8(9(10,11)12)6-3-15-4-7(6)13-14/h5H,3-4H2,1-2H3
InChIKeyCYOFAPIAIZRDHV-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.51
Rot. Bonds1

About 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole

2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole (PubChem CID 90162098) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole.

Molecular Properties

Compound Name2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole
PubChem CID90162098
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole
SMILESCC(C)n1nc2c(c1C(F)(F)F)COC2
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-8(9(10,11)12)6-3-15-4-7(6)13-14/h5H,3-4H2,1-2H3
InChIKeyCYOFAPIAIZRDHV-UHFFFAOYSA-N
XLogP2.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole?
The IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole (CID 90162098) is 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole.
What is the SMILES notation for 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole?
The canonical SMILES for 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole is CC(C)n1nc2c(c1C(F)(F)F)COC2.
What is the InChIKey of 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole?
The InChIKey is CYOFAPIAIZRDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)14-8(9(10,11)12)6-3-15-4-7(6)13-14/h5H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole?
2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazole is sourced from PubChem (CID 90162098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).