2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole

C7H9F5N2 — CID 118439351

IUPAC2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
SMILESCC1CC(C(F)(F)C(F)(F)F)=NN1C
InChIInChI=1S/C7H9F5N2/c1-4-3-5(13-14(4)2)6(8,9)7(10,11)12/h4H,3H2,1-2H3
InChIKeyOFYKWZSKMQRYQV-UHFFFAOYSA-N
MW216.15 g/mol
LogP2.26
Rot. Bonds1

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

2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole (PubChem CID 118439351) has the molecular formula C7H9F5N2 and a molecular weight of 216.15 g/mol. Its IUPAC name is 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
PubChem CID118439351
Molecular FormulaC7H9F5N2
Molecular Weight216.15 g/mol
Exact Mass216.07
IUPAC Name2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
SMILESCC1CC(C(F)(F)C(F)(F)F)=NN1C
InChIInChI=1S/C7H9F5N2/c1-4-3-5(13-14(4)2)6(8,9)7(10,11)12/h4H,3H2,1-2H3
InChIKeyOFYKWZSKMQRYQV-UHFFFAOYSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 52.26
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 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
The IUPAC name of 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole (CID 118439351) is 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole is CC1CC(C(F)(F)C(F)(F)F)=NN1C.
What is the InChIKey of 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
The InChIKey is OFYKWZSKMQRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5N2/c1-4-3-5(13-14(4)2)6(8,9)7(10,11)12/h4H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole?
2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole has a molecular weight of 216.15 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 118439351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).