1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone

C10H6F4N4O — CID 70509397

IUPAC1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone
SMILESCC1(C(F)(F)C(=O)c2ccc(F)cc2F)N=NN=N1
InChIInChI=1S/C10H6F4N4O/c1-9(15-17-18-16-9)10(13,14)8(19)6-3-2-5(11)4-7(6)12/h2-4H,1H3
InChIKeyPFKNOXGBOUYUOD-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.33
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone

1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone (PubChem CID 70509397) has the molecular formula C10H6F4N4O and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone
PubChem CID70509397
Molecular FormulaC10H6F4N4O
Molecular Weight274.18 g/mol
Exact Mass274.05
IUPAC Name1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone
SMILESCC1(C(F)(F)C(=O)c2ccc(F)cc2F)N=NN=N1
InChIInChI=1S/C10H6F4N4O/c1-9(15-17-18-16-9)10(13,14)8(19)6-3-2-5(11)4-7(6)12/h2-4H,1H3
InChIKeyPFKNOXGBOUYUOD-UHFFFAOYSA-N
XLogP3.33
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone (CID 70509397) is 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone is CC1(C(F)(F)C(=O)c2ccc(F)cc2F)N=NN=N1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone?
The InChIKey is PFKNOXGBOUYUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O/c1-9(15-17-18-16-9)10(13,14)8(19)6-3-2-5(11)4-7(6)12/h2-4H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone?
1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone has a molecular weight of 274.18 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 70509397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).