3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole

C7H8F2N2O — CID 156818624

IUPAC3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole
SMILESFC(F)c1ccn(C2COC2)n1
InChIInChI=1S/C7H8F2N2O/c8-7(9)6-1-2-11(10-6)5-3-12-4-5/h1-2,5,7H,3-4H2
InChIKeyRRFGZSVLUQNNLJ-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.39
Rot. Bonds2

About 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole

3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole (PubChem CID 156818624) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole
PubChem CID156818624
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole
SMILESFC(F)c1ccn(C2COC2)n1
InChIInChI=1S/C7H8F2N2O/c8-7(9)6-1-2-11(10-6)5-3-12-4-5/h1-2,5,7H,3-4H2
InChIKeyRRFGZSVLUQNNLJ-UHFFFAOYSA-N
XLogP1.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole (CID 156818624) is 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole is FC(F)c1ccn(C2COC2)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole?
The InChIKey is RRFGZSVLUQNNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)6-1-2-11(10-6)5-3-12-4-5/h1-2,5,7H,3-4H2.
What are the key properties of 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole?
3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole has a molecular weight of 174.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(oxetan-3-yl)pyrazole is sourced from PubChem (CID 156818624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).