1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one

C14H15F3N4O2Si — CID 21265635

IUPAC1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one
SMILESCOc1cc(-n2nnn(C(F)F)c2=O)c(F)cc1C#C[Si](C)(C)C
InChIInChI=1S/C14H15F3N4O2Si/c1-23-12-8-11(20-14(22)21(13(16)17)19-18-20)10(15)7-9(12)5-6-24(2,3)4/h7-8,13H,1-4H3
InChIKeyVXXTWKOBAAVGHU-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.20
Rot. Bonds3

About 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one

1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one (PubChem CID 21265635) has the molecular formula C14H15F3N4O2Si and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one
PubChem CID21265635
Molecular FormulaC14H15F3N4O2Si
Molecular Weight356.38 g/mol
Exact Mass356.09
IUPAC Name1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one
SMILESCOc1cc(-n2nnn(C(F)F)c2=O)c(F)cc1C#C[Si](C)(C)C
InChIInChI=1S/C14H15F3N4O2Si/c1-23-12-8-11(20-14(22)21(13(16)17)19-18-20)10(15)7-9(12)5-6-24(2,3)4/h7-8,13H,1-4H3
InChIKeyVXXTWKOBAAVGHU-UHFFFAOYSA-N
XLogP2.20
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one 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

3-{5-Ethoxy-2-fluoro-4-[2-(trimethylsilyl)-1-ethynyl]phenyl}-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
CID 11102020
1-(2,4-difluoro-5-methoxyphenyl)-1,4-dihydro-4-propyl-5H-tetrazol-5-one
CID 19882797
1-(2,4-Difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one
CID 19882829
5-Fluoro-4-(3-fluoro-4-methyl-5-oxo-1,2,4-triazol-1-yl)-2-methoxybenzenecarbothioamide
CID 20713553
5-Fluoro-4-(3-fluoro-4-methyl-5-oxo-1,2,4-triazol-1-yl)-2-methoxybenzonitrile
CID 20713554
1-[2-Fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]-4-(3-fluoropropyl)tetrazol-5-one
CID 21265525
2-[2-Fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 21265530
4-(Difluoromethyl)-2-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]-5-methyl-1,2,4-triazol-3-one
CID 21265581
3-[2-Fluoro-5-propoxy-4-(2-trimethylsilylethynyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265632
3-[2-Fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265638
4-difluoromethyl-4,5-dihydro-1-(4-methyl-3-methoxyphenyl)-3-methyl-1,2,4-triazol-5(1H)-one
CID 21274224
4-[3-(Difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-methoxybenzonitrile
CID 21959979

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one?
The IUPAC name of 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one (CID 21265635) is 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one.
What is the SMILES notation for 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one?
The canonical SMILES for 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one is COc1cc(-n2nnn(C(F)F)c2=O)c(F)cc1C#C[Si](C)(C)C.
What is the InChIKey of 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one?
The InChIKey is VXXTWKOBAAVGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2Si/c1-23-12-8-11(20-14(22)21(13(16)17)19-18-20)10(15)7-9(12)5-6-24(2,3)4/h7-8,13H,1-4H3.
What are the key properties of 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one?
1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one has a molecular weight of 356.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]tetrazol-5-one is sourced from PubChem (CID 21265635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).