2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole

C6H11FN2 — CID 89130023

IUPAC2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(CCF)CC1
InChIInChI=1S/C6H11FN2/c1-6-2-4-9(8-6)5-3-7/h2-5H2,1H3
InChIKeyYYDFEIBMZSHPCT-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.04
Rot. Bonds2

About 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole

2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole (PubChem CID 89130023) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole
PubChem CID89130023
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(CCF)CC1
InChIInChI=1S/C6H11FN2/c1-6-2-4-9(8-6)5-3-7/h2-5H2,1H3
InChIKeyYYDFEIBMZSHPCT-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole (CID 89130023) is 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole is CC1=NN(CCF)CC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole?
The InChIKey is YYDFEIBMZSHPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-6-2-4-9(8-6)5-3-7/h2-5H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole?
2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole has a molecular weight of 130.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 89130023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).