2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole

C8H11F5N2 — CID 118439349

IUPAC2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
SMILESCCN1N=C(C(F)(F)C(F)(F)F)CC1C
InChIInChI=1S/C8H11F5N2/c1-3-15-5(2)4-6(14-15)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3
InChIKeyVKMGIJQPDKHTEX-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.65
Rot. Bonds2

About 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole

2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole (PubChem CID 118439349) has the molecular formula C8H11F5N2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
PubChem CID118439349
Molecular FormulaC8H11F5N2
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
SMILESCCN1N=C(C(F)(F)C(F)(F)F)CC1C
InChIInChI=1S/C8H11F5N2/c1-3-15-5(2)4-6(14-15)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3
InChIKeyVKMGIJQPDKHTEX-UHFFFAOYSA-N
XLogP2.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.65
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 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
The IUPAC name of 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole (CID 118439349) is 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole is CCN1N=C(C(F)(F)C(F)(F)F)CC1C.
What is the InChIKey of 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
The InChIKey is VKMGIJQPDKHTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2/c1-3-15-5(2)4-6(14-15)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole has a molecular weight of 230.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 118439349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).