N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C10H14F4N4O2 — CID 91773318

IUPACN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)C(F)F)c1ncnn1C
InChIInChI=1S/C10H14F4N4O2/c1-6(8-15-5-16-18(8)2)17-7(19)3-20-4-10(13,14)9(11)12/h5-6,9H,3-4H2,1-2H3,(H,17,19)
InChIKeyYQPPCKNZYWQUIX-UHFFFAOYSA-N
MW298.24 g/mol
LogP0.91
Rot. Bonds7

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

N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91773318) has the molecular formula C10H14F4N4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91773318
Molecular FormulaC10H14F4N4O2
Molecular Weight298.24 g/mol
Exact Mass298.11
IUPAC NameN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)C(F)F)c1ncnn1C
InChIInChI=1S/C10H14F4N4O2/c1-6(8-15-5-16-18(8)2)17-7(19)3-20-4-10(13,14)9(11)12/h5-6,9H,3-4H2,1-2H3,(H,17,19)
InChIKeyYQPPCKNZYWQUIX-UHFFFAOYSA-N
XLogP0.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91773318) is N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is CC(NC(=O)COCC(F)(F)C(F)F)c1ncnn1C.
What is the InChIKey of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is YQPPCKNZYWQUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N4O2/c1-6(8-15-5-16-18(8)2)17-7(19)3-20-4-10(13,14)9(11)12/h5-6,9H,3-4H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 298.24 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91773318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).