4-(2-fluoroethoxy)-1-propylpyrazole

C8H13FN2O — CID 116804963

IUPAC4-(2-fluoroethoxy)-1-propylpyrazole
SMILESCCCn1cc(OCCF)cn1
InChIInChI=1S/C8H13FN2O/c1-2-4-11-7-8(6-10-11)12-5-3-9/h6-7H,2-5H2,1H3
InChIKeyZHSHXKSTXKNFHL-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.64
Rot. Bonds5

About 4-(2-fluoroethoxy)-1-propylpyrazole

4-(2-fluoroethoxy)-1-propylpyrazole (PubChem CID 116804963) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-1-propylpyrazole.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-1-propylpyrazole
PubChem CID116804963
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name4-(2-fluoroethoxy)-1-propylpyrazole
SMILESCCCn1cc(OCCF)cn1
InChIInChI=1S/C8H13FN2O/c1-2-4-11-7-8(6-10-11)12-5-3-9/h6-7H,2-5H2,1H3
InChIKeyZHSHXKSTXKNFHL-UHFFFAOYSA-N
XLogP1.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-1-propylpyrazole?
The IUPAC name of 4-(2-fluoroethoxy)-1-propylpyrazole (CID 116804963) is 4-(2-fluoroethoxy)-1-propylpyrazole.
What is the SMILES notation for 4-(2-fluoroethoxy)-1-propylpyrazole?
The canonical SMILES for 4-(2-fluoroethoxy)-1-propylpyrazole is CCCn1cc(OCCF)cn1.
What is the InChIKey of 4-(2-fluoroethoxy)-1-propylpyrazole?
The InChIKey is ZHSHXKSTXKNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-2-4-11-7-8(6-10-11)12-5-3-9/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2-fluoroethoxy)-1-propylpyrazole?
4-(2-fluoroethoxy)-1-propylpyrazole has a molecular weight of 172.20 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-1-propylpyrazole is sourced from PubChem (CID 116804963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).