4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole

C10H10FN3 — CID 122466877

IUPAC4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole
SMILESCc1ccc(-c2cn[nH]n2)c(C)c1F
InChIInChI=1S/C10H10FN3/c1-6-3-4-8(7(2)10(6)11)9-5-12-14-13-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyRRZBQESDPDBGJF-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.23
Rot. Bonds1

About 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole

4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole (PubChem CID 122466877) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole
PubChem CID122466877
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole
SMILESCc1ccc(-c2cn[nH]n2)c(C)c1F
InChIInChI=1S/C10H10FN3/c1-6-3-4-8(7(2)10(6)11)9-5-12-14-13-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyRRZBQESDPDBGJF-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole?
The IUPAC name of 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole (CID 122466877) is 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole.
What is the SMILES notation for 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole?
The canonical SMILES for 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole is Cc1ccc(-c2cn[nH]n2)c(C)c1F.
What is the InChIKey of 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole?
The InChIKey is RRZBQESDPDBGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-6-3-4-8(7(2)10(6)11)9-5-12-14-13-9/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole?
4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole has a molecular weight of 191.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole is sourced from PubChem (CID 122466877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).