2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide

C16H16F4N4O — CID 166325521

IUPAC2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide
SMILESO=C(NCc1cn(-c2ccccc2C(F)(F)F)nn1)C(F)C1CCC1
InChIInChI=1S/C16H16F4N4O/c17-14(10-4-3-5-10)15(25)21-8-11-9-24(23-22-11)13-7-2-1-6-12(13)16(18,19)20/h1-2,6-7,9-10,14H,3-5,8H2,(H,21,25)
InChIKeyWLDHNRJKRBORBM-UHFFFAOYSA-N
MW356.32 g/mol
LogP3.04
Rot. Bonds5

About 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide

2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide (PubChem CID 166325521) has the molecular formula C16H16F4N4O and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide
PubChem CID166325521
Molecular FormulaC16H16F4N4O
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide
SMILESO=C(NCc1cn(-c2ccccc2C(F)(F)F)nn1)C(F)C1CCC1
InChIInChI=1S/C16H16F4N4O/c17-14(10-4-3-5-10)15(25)21-8-11-9-24(23-22-11)13-7-2-1-6-12(13)16(18,19)20/h1-2,6-7,9-10,14H,3-5,8H2,(H,21,25)
InChIKeyWLDHNRJKRBORBM-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide (CID 166325521) is 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide is O=C(NCc1cn(-c2ccccc2C(F)(F)F)nn1)C(F)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide?
The InChIKey is WLDHNRJKRBORBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4O/c17-14(10-4-3-5-10)15(25)21-8-11-9-24(23-22-11)13-7-2-1-6-12(13)16(18,19)20/h1-2,6-7,9-10,14H,3-5,8H2,(H,21,25).
What are the key properties of 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide?
2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide has a molecular weight of 356.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 166325521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).