(2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone

C16H11F2N3O — CID 21488632

IUPAC(2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1nncn1-c1ccccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3O/c1-10-20-19-9-21(10)14-8-3-2-5-11(14)16(22)15-12(17)6-4-7-13(15)18/h2-9H,1H3
InChIKeyCBYNPLMOCHXVIZ-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.08
Rot. Bonds3

About (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone

(2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 21488632) has the molecular formula C16H11F2N3O and a molecular weight of 299.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID21488632
Molecular FormulaC16H11F2N3O
Molecular Weight299.28 g/mol
Exact Mass299.09
IUPAC Name(2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1nncn1-c1ccccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3O/c1-10-20-19-9-21(10)14-8-3-2-5-11(14)16(22)15-12(17)6-4-7-13(15)18/h2-9H,1H3
InChIKeyCBYNPLMOCHXVIZ-UHFFFAOYSA-N
XLogP3.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 135044829
4-(2-fluorophenyl)-1,2,4-triazole-3-carboxylic acid
CID 83883043
3-[4-fluoro-3-(3-methyl-1,2,4-triazol-4-yl)phenyl]propanoic acid
CID 82513778
N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-2-methyl-3-(3-methyl-1,2,4-triazol-4-yl)benzamide
CID 161393624
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222399
2-fluoro-N'-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 7257659
(2-fluorophenyl)-[2-(triazol-2-yl)phenyl]methanone
CID 102227880
(2S)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40791305
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
CID 136722892
1-(2,5-dimethylthiophen-3-yl)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17412207
N-(2,6-difluorophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51236132
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone (CID 21488632) is (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone is Cc1nncn1-c1ccccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is CBYNPLMOCHXVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O/c1-10-20-19-9-21(10)14-8-3-2-5-11(14)16(22)15-12(17)6-4-7-13(15)18/h2-9H,1H3.
What are the key properties of (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone?
(2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 299.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[2-(3-methyl-1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 21488632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).