1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole

C7H10F3N3 — CID 89114464

IUPAC1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole
SMILESCCCC(n1cncn1)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-2-3-6(7(8,9)10)13-5-11-4-12-13/h4-6H,2-3H2,1H3
InChIKeyWTCYXHYPPJWRIH-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.18
Rot. Bonds3

About 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole

1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole (PubChem CID 89114464) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole
PubChem CID89114464
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole
SMILESCCCC(n1cncn1)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-2-3-6(7(8,9)10)13-5-11-4-12-13/h4-6H,2-3H2,1H3
InChIKeyWTCYXHYPPJWRIH-UHFFFAOYSA-N
XLogP2.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole?
The IUPAC name of 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole (CID 89114464) is 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole is CCCC(n1cncn1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole?
The InChIKey is WTCYXHYPPJWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-2-3-6(7(8,9)10)13-5-11-4-12-13/h4-6H,2-3H2,1H3.
What are the key properties of 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole?
1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole has a molecular weight of 193.17 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropentan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 89114464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).