4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole

C8H9F3N2O — CID 163279730

IUPAC4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole
SMILESFC(F)(F)OCC1CC1c1cn[nH]c1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)14-4-5-1-7(5)6-2-12-13-3-6/h2-3,5,7H,1,4H2,(H,12,13)
InChIKeyJEDLICDNPRHMIS-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.05
Rot. Bonds3

About 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole

4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole (PubChem CID 163279730) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole
PubChem CID163279730
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole
SMILESFC(F)(F)OCC1CC1c1cn[nH]c1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)14-4-5-1-7(5)6-2-12-13-3-6/h2-3,5,7H,1,4H2,(H,12,13)
InChIKeyJEDLICDNPRHMIS-UHFFFAOYSA-N
XLogP2.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole?
The IUPAC name of 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole (CID 163279730) is 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole.
What is the SMILES notation for 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole?
The canonical SMILES for 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole is FC(F)(F)OCC1CC1c1cn[nH]c1.
What is the InChIKey of 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole?
The InChIKey is JEDLICDNPRHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)14-4-5-1-7(5)6-2-12-13-3-6/h2-3,5,7H,1,4H2,(H,12,13).
What are the key properties of 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole?
4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole has a molecular weight of 206.17 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxymethyl)cyclopropyl]-1H-pyrazole is sourced from PubChem (CID 163279730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).