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

C10H14F2N2O — CID 90162129

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1COC2
InChIInChI=1S/C10H14F2N2O/c1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3
InChIKeyMYWSPWVURLXQNJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.61
Rot. Bonds2

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

3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole (PubChem CID 90162129) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole
PubChem CID90162129
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1COC2
InChIInChI=1S/C10H14F2N2O/c1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12/h6H,4-5H2,1-3H3
InChIKeyMYWSPWVURLXQNJ-UHFFFAOYSA-N
XLogP2.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole (CID 90162129) is 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1COC2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole?
The InChIKey is MYWSPWVURLXQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-6(2)14-8-5-15-4-7(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-dihydrofuro[3,4-d]pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole has a molecular weight of 216.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole is sourced from PubChem (CID 90162129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).