3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde

C11H10FN3O — CID 105473585

IUPAC3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde
SMILESCCn1nnc(-c2ccccc2F)c1C=O
InChIInChI=1S/C11H10FN3O/c1-2-15-10(7-16)11(13-14-15)8-5-3-4-6-9(8)12/h3-7H,2H2,1H3
InChIKeyDCXSJYWWJXRNTF-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.92
Rot. Bonds3

About 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde

3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde (PubChem CID 105473585) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde
PubChem CID105473585
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde
SMILESCCn1nnc(-c2ccccc2F)c1C=O
InChIInChI=1S/C11H10FN3O/c1-2-15-10(7-16)11(13-14-15)8-5-3-4-6-9(8)12/h3-7H,2H2,1H3
InChIKeyDCXSJYWWJXRNTF-UHFFFAOYSA-N
XLogP1.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
CID 105458542
6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 90477313
1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazole-4-carbaldehyde
CID 82203900
1-(2,5-dimethylphenyl)-5-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82195829
2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
4-(2-fluorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112680136
2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
CID 130529860
1-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 82203906
3-(2-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 82362916
1-[(2-fluorophenyl)methyl]-5-(2-methoxyphenyl)triazole-4-carbaldehyde
CID 94943529
5-butyl-1-[(2-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 82203891
2-[1-ethyl-5-(2-fluorophenyl)pyrazol-3-yl]ethanamine
CID 105492850

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde?
The IUPAC name of 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde (CID 105473585) is 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde.
What is the SMILES notation for 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde?
The canonical SMILES for 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde is CCn1nnc(-c2ccccc2F)c1C=O.
What is the InChIKey of 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde?
The InChIKey is DCXSJYWWJXRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-2-15-10(7-16)11(13-14-15)8-5-3-4-6-9(8)12/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde?
3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde has a molecular weight of 219.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde is sourced from PubChem (CID 105473585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).