1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone

C10H7F2N3O — CID 57125119

IUPAC1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1ncn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C10H7F2N3O/c11-6-1-2-7(8(12)3-6)9(16)4-10-13-5-14-15-10/h1-3,5H,4H2,(H,13,14,15)
InChIKeyUYCBXIUNFKYPCT-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.51
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone

1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 57125119) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone
PubChem CID57125119
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1ncn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C10H7F2N3O/c11-6-1-2-7(8(12)3-6)9(16)4-10-13-5-14-15-10/h1-3,5H,4H2,(H,13,14,15)
InChIKeyUYCBXIUNFKYPCT-UHFFFAOYSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-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

7-Phenyl-1-(4H-1,2,4-triazol-3-yl)-heptan-1-one
CID 24950681
1-phenyl-3-(4H-1,2,4-triazol-3-yl)propane-1,3-dione
CID 71814480
1-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one
CID 21253997
3-benzoyl-4H-1,2,4-triazole
CID 12324723
3-(4-Trifluoromethylbenzoyl)-1,2,4-triazole
CID 12097195
3-(4-fluorobenzoyl)-4H-1,2,4-triazole
CID 20226690
1-cyclopropyl-3-[4-fluoro-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]propane-1,3-dione
CID 54530191
2-fluoro-3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 57111350
2-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)acetaldehyde
CID 57214006
2-fluoro-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-3-yl)ethan-1-one
CID 57279001
1-Phenyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanone
CID 58370504
1-(2,4-Difluorophenyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 60748019

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone (CID 57125119) is 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone is O=C(Cc1ncn[nH]1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
The InChIKey is UYCBXIUNFKYPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-6-1-2-7(8(12)3-6)9(16)4-10-13-5-14-15-10/h1-3,5H,4H2,(H,13,14,15).
What are the key properties of 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone?
1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 223.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 57125119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).