3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide

C8H8F6N4O — CID 103310292

IUPAC3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCCc1ncn[nH]1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N4O/c9-7(10,11)5(8(12,13)14)6(19)15-2-1-4-16-3-17-18-4/h3,5H,1-2H2,(H,15,19)(H,16,17,18)
InChIKeyQHGGYECACVYWAN-UHFFFAOYSA-N
MW290.17 g/mol
LogP1.20
Rot. Bonds4

About 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310292) has the molecular formula C8H8F6N4O and a molecular weight of 290.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
PubChem CID103310292
Molecular FormulaC8H8F6N4O
Molecular Weight290.17 g/mol
Exact Mass290.06
IUPAC Name3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCCc1ncn[nH]1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N4O/c9-7(10,11)5(8(12,13)14)6(19)15-2-1-4-16-3-17-18-4/h3,5H,1-2H2,(H,15,19)(H,16,17,18)
InChIKeyQHGGYECACVYWAN-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide (CID 103310292) is 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide is O=C(NCCc1ncn[nH]1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
The InChIKey is QHGGYECACVYWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N4O/c9-7(10,11)5(8(12,13)14)6(19)15-2-1-4-16-3-17-18-4/h3,5H,1-2H2,(H,15,19)(H,16,17,18).
What are the key properties of 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide has a molecular weight of 290.17 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).