2-(trifluoromethyl)-1,3-dihydropyrazole

C4H5F3N2 — CID 122585433

IUPAC2-(trifluoromethyl)-1,3-dihydropyrazole
SMILESFC(F)(F)N1CC=CN1
InChIInChI=1S/C4H5F3N2/c5-4(6,7)9-3-1-2-8-9/h1-2,8H,3H2
InChIKeyRVTJOFHXJYIXCA-UHFFFAOYSA-N
MW138.09 g/mol
LogP0.84
Rot. Bonds

About 2-(trifluoromethyl)-1,3-dihydropyrazole

2-(trifluoromethyl)-1,3-dihydropyrazole (PubChem CID 122585433) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-dihydropyrazole
PubChem CID122585433
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name2-(trifluoromethyl)-1,3-dihydropyrazole
SMILESFC(F)(F)N1CC=CN1
InChIInChI=1S/C4H5F3N2/c5-4(6,7)9-3-1-2-8-9/h1-2,8H,3H2
InChIKeyRVTJOFHXJYIXCA-UHFFFAOYSA-N
XLogP0.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Fluorovinylpyrazoline
CID 129801664
Methylpyrazoline
CID 18184270
Vinylpyrazoline
CID 66712804
Cyanopyrazoline
CID 129646902
Vinyldihydropyrazole
CID 129745195
2-Methyl-5-(trifluoromethyl)-1,5-dihydropyrazole
CID 53443488
4,5-Difluoro-2-methyl-1,5-dihydropyrazole
CID 91500334
2-(Trifluoromethyl)-1,5-dihydropyrazole
CID 122585434
2-Methyl-4-(trifluoromethyl)-1,5-dihydropyrazole
CID 123519924
2-Methyl-3-(trifluoromethyl)-1,3-dihydropyrazole
CID 123932036
2-(1,2,2-Trifluoroethenyl)-1,3-dihydropyrazole
CID 140310972
2-(2,2,2-Trifluoroethyl)-1,3-dihydropyrazole
CID 162534644

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-dihydropyrazole?
The IUPAC name of 2-(trifluoromethyl)-1,3-dihydropyrazole (CID 122585433) is 2-(trifluoromethyl)-1,3-dihydropyrazole.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-dihydropyrazole?
The canonical SMILES for 2-(trifluoromethyl)-1,3-dihydropyrazole is FC(F)(F)N1CC=CN1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-dihydropyrazole?
The InChIKey is RVTJOFHXJYIXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2/c5-4(6,7)9-3-1-2-8-9/h1-2,8H,3H2.
What are the key properties of 2-(trifluoromethyl)-1,3-dihydropyrazole?
2-(trifluoromethyl)-1,3-dihydropyrazole has a molecular weight of 138.09 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-dihydropyrazole is sourced from PubChem (CID 122585433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).