2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

C8H10F4N4O — CID 113253852

IUPAC2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCn1cnc(CCNC(=O)C(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4O/c1-16-4-14-5(15-16)2-3-13-7(17)8(11,12)6(9)10/h4,6H,2-3H2,1H3,(H,13,17)
InChIKeyIMZLPSYDWVAESL-UHFFFAOYSA-N
MW254.19 g/mol
LogP0.37
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 113253852) has the molecular formula C8H10F4N4O and a molecular weight of 254.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID113253852
Molecular FormulaC8H10F4N4O
Molecular Weight254.19 g/mol
Exact Mass254.08
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCn1cnc(CCNC(=O)C(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4O/c1-16-4-14-5(15-16)2-3-13-7(17)8(11,12)6(9)10/h4,6H,2-3H2,1H3,(H,13,17)
InChIKeyIMZLPSYDWVAESL-UHFFFAOYSA-N
XLogP0.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 113253852) is 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is Cn1cnc(CCNC(=O)C(F)(F)C(F)F)n1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is IMZLPSYDWVAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O/c1-16-4-14-5(15-16)2-3-13-7(17)8(11,12)6(9)10/h4,6H,2-3H2,1H3,(H,13,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 254.19 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 113253852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).