4-(fluoromethyl)-5-methyl-2-phenyltriazole

C10H10FN3 — CID 563216

IUPAC4-(fluoromethyl)-5-methyl-2-phenyltriazole
SMILESCc1nn(-c2ccccc2)nc1CF
InChIInChI=1S/C10H10FN3/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyGFDIBECOXOEJJY-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.05
Rot. Bonds2

About 4-(fluoromethyl)-5-methyl-2-phenyltriazole

4-(fluoromethyl)-5-methyl-2-phenyltriazole (PubChem CID 563216) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-methyl-2-phenyltriazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-methyl-2-phenyltriazole
PubChem CID563216
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name4-(fluoromethyl)-5-methyl-2-phenyltriazole
SMILESCc1nn(-c2ccccc2)nc1CF
InChIInChI=1S/C10H10FN3/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyGFDIBECOXOEJJY-UHFFFAOYSA-N
XLogP2.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-methyl-2-phenyltriazole?
The IUPAC name of 4-(fluoromethyl)-5-methyl-2-phenyltriazole (CID 563216) is 4-(fluoromethyl)-5-methyl-2-phenyltriazole.
What is the SMILES notation for 4-(fluoromethyl)-5-methyl-2-phenyltriazole?
The canonical SMILES for 4-(fluoromethyl)-5-methyl-2-phenyltriazole is Cc1nn(-c2ccccc2)nc1CF.
What is the InChIKey of 4-(fluoromethyl)-5-methyl-2-phenyltriazole?
The InChIKey is GFDIBECOXOEJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 4-(fluoromethyl)-5-methyl-2-phenyltriazole?
4-(fluoromethyl)-5-methyl-2-phenyltriazole has a molecular weight of 191.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-methyl-2-phenyltriazole is sourced from PubChem (CID 563216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).