3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole

C7H3F9N2 — CID 130195014

IUPAC3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole
SMILESCn1nc(F)c(C(F)(F)F)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F9N2/c1-18-3(5(9,10)7(14,15)16)2(4(8)17-18)6(11,12)13/h1H3
InChIKeyCWYCEAZLEPLZGQ-UHFFFAOYSA-N
MW286.10 g/mol
LogP3.23
Rot. Bonds1

About 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole

3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole (PubChem CID 130195014) has the molecular formula C7H3F9N2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole
PubChem CID130195014
Molecular FormulaC7H3F9N2
Molecular Weight286.10 g/mol
Exact Mass286.02
IUPAC Name3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole
SMILESCn1nc(F)c(C(F)(F)F)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F9N2/c1-18-3(5(9,10)7(14,15)16)2(4(8)17-18)6(11,12)13/h1H3
InChIKeyCWYCEAZLEPLZGQ-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole (CID 130195014) is 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole is Cn1nc(F)c(C(F)(F)F)c1C(F)(F)C(F)(F)F.
What is the InChIKey of 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is CWYCEAZLEPLZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F9N2/c1-18-3(5(9,10)7(14,15)16)2(4(8)17-18)6(11,12)13/h1H3.
What are the key properties of 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole?
3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 286.10 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 130195014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).