4-(2,2,2-trifluoroethoxy)-1H-pyrazole

C5H5F3N2O — CID 102120426

IUPAC4-(2,2,2-trifluoroethoxy)-1H-pyrazole
SMILESFC(F)(F)COc1cn[nH]c1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)3-11-4-1-9-10-2-4/h1-2H,3H2,(H,9,10)
InChIKeyKKGFDSKIKDFFSH-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.35
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)-1H-pyrazole

4-(2,2,2-trifluoroethoxy)-1H-pyrazole (PubChem CID 102120426) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-1H-pyrazole
PubChem CID102120426
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name4-(2,2,2-trifluoroethoxy)-1H-pyrazole
SMILESFC(F)(F)COc1cn[nH]c1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)3-11-4-1-9-10-2-4/h1-2H,3H2,(H,9,10)
InChIKeyKKGFDSKIKDFFSH-UHFFFAOYSA-N
XLogP1.35
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1H-pyrazole
CID 5324776
4-(difluoromethoxy)-1H-pyrazole
CID 19993707
4-methoxy-1H-pyrazole hydrochloride
CID 122156610
1H-pyrazol-4-yl acetate
CID 15383345
4-(2,2-Difluoroethoxy)-1H-pyrazole
CID 154815222
4-(2-Chloro-1,1,2-trifluoroethoxy)-1 h-pyrazole
CID 129877053
4-(1,1,2,2-Tetrafluoroethoxy)-1 h-pyrazole
CID 129877096
4-Ethoxy-1H-pyrazole
CID 13484068
4-Isopropoxypyrazole
CID 21398053
4-butoxy-1H-pyrazole
CID 91527941
4-(trifluoromethoxy)-1H-pyrazole
CID 76545935
4-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
CID 139389158

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-pyrazole?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-pyrazole (CID 102120426) is 4-(2,2,2-trifluoroethoxy)-1H-pyrazole.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-1H-pyrazole?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-1H-pyrazole is FC(F)(F)COc1cn[nH]c1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-1H-pyrazole?
The InChIKey is KKGFDSKIKDFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)3-11-4-1-9-10-2-4/h1-2H,3H2,(H,9,10).
What are the key properties of 4-(2,2,2-trifluoroethoxy)-1H-pyrazole?
4-(2,2,2-trifluoroethoxy)-1H-pyrazole has a molecular weight of 166.10 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-1H-pyrazole is sourced from PubChem (CID 102120426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).