1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone

C12H11F2N3O2 — CID 107062635

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2ccc(OC(F)F)cc2)nn1
InChIInChI=1S/C12H11F2N3O2/c1-17-7-9(15-16-17)6-11(18)8-2-4-10(5-3-8)19-12(13)14/h2-5,7,12H,6H2,1H3
InChIKeyDUKNQVKGODHULD-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.84
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone

1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107062635) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107062635
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2ccc(OC(F)F)cc2)nn1
InChIInChI=1S/C12H11F2N3O2/c1-17-7-9(15-16-17)6-11(18)8-2-4-10(5-3-8)19-12(13)14/h2-5,7,12H,6H2,1H3
InChIKeyDUKNQVKGODHULD-UHFFFAOYSA-N
XLogP1.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 152926509
1-[4-(1-fluoroethoxy)phenyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 158644364
1-(6-bromonaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063142
1-[4-(difluoromethoxy)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 146857151
1-(4-chloro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062652
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[4-(difluoromethoxy)phenyl]ethanone
CID 114982046
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
[4-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methanone
CID 114972533
1-(3-amino-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062342
2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 78766338
methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
CID 17024669

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone (CID 107062635) is 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone is Cn1cc(CC(=O)c2ccc(OC(F)F)cc2)nn1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is DUKNQVKGODHULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-17-7-9(15-16-17)6-11(18)8-2-4-10(5-3-8)19-12(13)14/h2-5,7,12H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone?
1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 267.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107062635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).