1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone

C9H7FN4O — CID 84673857

IUPAC1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnnn1-c1ccccc1F
InChIInChI=1S/C9H7FN4O/c1-6(15)9-11-12-13-14(9)8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeySMMPIPQHZNSUNW-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.00
Rot. Bonds2

About 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone

1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone (PubChem CID 84673857) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone
PubChem CID84673857
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnnn1-c1ccccc1F
InChIInChI=1S/C9H7FN4O/c1-6(15)9-11-12-13-14(9)8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeySMMPIPQHZNSUNW-UHFFFAOYSA-N
XLogP1.00
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 67955069
(E)-3-[1-(2-fluorophenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366497
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641
1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese
CID 177064731
1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole
CID 73052680
3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61376560
5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706309
2-[1-(2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454704
1-(2-fluorophenyl)-5-propan-2-yltriazole-4-carbaldehyde
CID 82196457
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
CID 163437904
4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
CID 103298122
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone?
The IUPAC name of 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone (CID 84673857) is 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone?
The canonical SMILES for 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone is CC(=O)c1nnnn1-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone?
The InChIKey is SMMPIPQHZNSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c1-6(15)9-11-12-13-14(9)8-5-3-2-4-7(8)10/h2-5H,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone?
1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone has a molecular weight of 206.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone is sourced from PubChem (CID 84673857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).