1-(1,1-difluoropropyl)-4-ethoxypyrazole

C8H12F2N2O — CID 167200734

IUPAC1-(1,1-difluoropropyl)-4-ethoxypyrazole
SMILESCCOc1cnn(C(F)(F)CC)c1
InChIInChI=1S/C8H12F2N2O/c1-3-8(9,10)12-6-7(5-11-12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyXPLSIRHXPZAEHR-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.24
Rot. Bonds4

About 1-(1,1-difluoropropyl)-4-ethoxypyrazole

1-(1,1-difluoropropyl)-4-ethoxypyrazole (PubChem CID 167200734) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-4-ethoxypyrazole.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-4-ethoxypyrazole
PubChem CID167200734
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-(1,1-difluoropropyl)-4-ethoxypyrazole
SMILESCCOc1cnn(C(F)(F)CC)c1
InChIInChI=1S/C8H12F2N2O/c1-3-8(9,10)12-6-7(5-11-12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyXPLSIRHXPZAEHR-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-4-ethoxypyrazole?
The IUPAC name of 1-(1,1-difluoropropyl)-4-ethoxypyrazole (CID 167200734) is 1-(1,1-difluoropropyl)-4-ethoxypyrazole.
What is the SMILES notation for 1-(1,1-difluoropropyl)-4-ethoxypyrazole?
The canonical SMILES for 1-(1,1-difluoropropyl)-4-ethoxypyrazole is CCOc1cnn(C(F)(F)CC)c1.
What is the InChIKey of 1-(1,1-difluoropropyl)-4-ethoxypyrazole?
The InChIKey is XPLSIRHXPZAEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-3-8(9,10)12-6-7(5-11-12)13-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropyl)-4-ethoxypyrazole?
1-(1,1-difluoropropyl)-4-ethoxypyrazole has a molecular weight of 190.19 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-4-ethoxypyrazole is sourced from PubChem (CID 167200734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).