1,2,4-trifluoro-5-propylimidazole

C6H7F3N2 — CID 19805601

IUPAC1,2,4-trifluoro-5-propylimidazole
SMILESCCCc1c(F)nc(F)n1F
InChIInChI=1S/C6H7F3N2/c1-2-3-4-5(7)10-6(8)11(4)9/h2-3H2,1H3
InChIKeyCSWIXSKKTTZWQO-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.85
Rot. Bonds2

About 1,2,4-trifluoro-5-propylimidazole

1,2,4-trifluoro-5-propylimidazole (PubChem CID 19805601) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1,2,4-trifluoro-5-propylimidazole.

Molecular Properties

Compound Name1,2,4-trifluoro-5-propylimidazole
PubChem CID19805601
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1,2,4-trifluoro-5-propylimidazole
SMILESCCCc1c(F)nc(F)n1F
InChIInChI=1S/C6H7F3N2/c1-2-3-4-5(7)10-6(8)11(4)9/h2-3H2,1H3
InChIKeyCSWIXSKKTTZWQO-UHFFFAOYSA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-5-propylimidazole?
The IUPAC name of 1,2,4-trifluoro-5-propylimidazole (CID 19805601) is 1,2,4-trifluoro-5-propylimidazole.
What is the SMILES notation for 1,2,4-trifluoro-5-propylimidazole?
The canonical SMILES for 1,2,4-trifluoro-5-propylimidazole is CCCc1c(F)nc(F)n1F.
What is the InChIKey of 1,2,4-trifluoro-5-propylimidazole?
The InChIKey is CSWIXSKKTTZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-2-3-4-5(7)10-6(8)11(4)9/h2-3H2,1H3.
What are the key properties of 1,2,4-trifluoro-5-propylimidazole?
1,2,4-trifluoro-5-propylimidazole has a molecular weight of 164.13 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-5-propylimidazole is sourced from PubChem (CID 19805601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).