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

C10H14F4N4O2 — CID 91769531

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCn1cnnc1CCNC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4N4O2/c1-18-6-16-17-7(18)2-3-15-8(19)4-20-5-10(13,14)9(11)12/h6,9H,2-5H2,1H3,(H,15,19)
InChIKeyWUIZSCLOTOZIDP-UHFFFAOYSA-N
MW298.24 g/mol
LogP0.39
Rot. Bonds8

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91769531) has the molecular formula C10H14F4N4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91769531
Molecular FormulaC10H14F4N4O2
Molecular Weight298.24 g/mol
Exact Mass298.11
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCn1cnnc1CCNC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4N4O2/c1-18-6-16-17-7(18)2-3-15-8(19)4-20-5-10(13,14)9(11)12/h6,9H,2-5H2,1H3,(H,15,19)
InChIKeyWUIZSCLOTOZIDP-UHFFFAOYSA-N
XLogP0.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91769531) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Cn1cnnc1CCNC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is WUIZSCLOTOZIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N4O2/c1-18-6-16-17-7(18)2-3-15-8(19)4-20-5-10(13,14)9(11)12/h6,9H,2-5H2,1H3,(H,15,19).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[2-(4-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 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91769531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).