5-(difluoromethoxy)-4-fluoro-1H-pyrazole

C4H3F3N2O — CID 159770957

IUPAC5-(difluoromethoxy)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1OC(F)F
InChIInChI=1S/C4H3F3N2O/c5-2-1-8-9-3(2)10-4(6)7/h1,4H,(H,8,9)
InChIKeyNGCKFLALQREJIE-UHFFFAOYSA-N
MW152.08 g/mol
LogP1.15
Rot. Bonds2

About 5-(difluoromethoxy)-4-fluoro-1H-pyrazole

5-(difluoromethoxy)-4-fluoro-1H-pyrazole (PubChem CID 159770957) has the molecular formula C4H3F3N2O and a molecular weight of 152.08 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-fluoro-1H-pyrazole
PubChem CID159770957
Molecular FormulaC4H3F3N2O
Molecular Weight152.08 g/mol
Exact Mass152.02
IUPAC Name5-(difluoromethoxy)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1OC(F)F
InChIInChI=1S/C4H3F3N2O/c5-2-1-8-9-3(2)10-4(6)7/h1,4H,(H,8,9)
InChIKeyNGCKFLALQREJIE-UHFFFAOYSA-N
XLogP1.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-fluoro-1H-pyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-fluoro-1H-pyrazole (CID 159770957) is 5-(difluoromethoxy)-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-fluoro-1H-pyrazole is Fc1cn[nH]c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-fluoro-1H-pyrazole?
The InChIKey is NGCKFLALQREJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O/c5-2-1-8-9-3(2)10-4(6)7/h1,4H,(H,8,9).
What are the key properties of 5-(difluoromethoxy)-4-fluoro-1H-pyrazole?
5-(difluoromethoxy)-4-fluoro-1H-pyrazole has a molecular weight of 152.08 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-fluoro-1H-pyrazole is sourced from PubChem (CID 159770957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).