3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C11H16F2N2O — CID 90162053

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCOC2
InChIInChI=1S/C11H16F2N2O/c1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyYLDBKWPRUWYHCS-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.65
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 90162053) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID90162053
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCOC2
InChIInChI=1S/C11H16F2N2O/c1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyYLDBKWPRUWYHCS-UHFFFAOYSA-N
XLogP2.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.65
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-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 90162053) is 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1CCOC2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is YLDBKWPRUWYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 230.26 g/mol, XLogP of 2.65, 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-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 90162053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).