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

C7H10F2N4O — CID 103515853

IUPAC2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)C(F)F)n1
InChIInChI=1S/C7H10F2N4O/c1-13-4-11-5(12-13)2-3-10-7(14)6(8)9/h4,6H,2-3H2,1H3,(H,10,14)
InChIKeyWOPOBWWQJZLGET-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.26
Rot. Bonds4

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

2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 103515853) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID103515853
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)C(F)F)n1
InChIInChI=1S/C7H10F2N4O/c1-13-4-11-5(12-13)2-3-10-7(14)6(8)9/h4,6H,2-3H2,1H3,(H,10,14)
InChIKeyWOPOBWWQJZLGET-UHFFFAOYSA-N
XLogP-0.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]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 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 103515853) is 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnc(CCNC(=O)C(F)F)n1.
What is the InChIKey of 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is WOPOBWWQJZLGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c1-13-4-11-5(12-13)2-3-10-7(14)6(8)9/h4,6H,2-3H2,1H3,(H,10,14).
What are the key properties of 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 204.18 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 103515853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).