1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole

C10H9ClFN3 — CID 118286820

IUPAC1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole
SMILESCc1cc(Cl)ccc1-n1cc(CF)nn1
InChIInChI=1S/C10H9ClFN3/c1-7-4-8(11)2-3-10(7)15-6-9(5-12)13-14-15/h2-4,6H,5H2,1H3
InChIKeyJZDNMMNZIPIIJR-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.70
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole

1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole (PubChem CID 118286820) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole
PubChem CID118286820
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole
SMILESCc1cc(Cl)ccc1-n1cc(CF)nn1
InChIInChI=1S/C10H9ClFN3/c1-7-4-8(11)2-3-10(7)15-6-9(5-12)13-14-15/h2-4,6H,5H2,1H3
InChIKeyJZDNMMNZIPIIJR-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole (CID 118286820) is 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole is Cc1cc(Cl)ccc1-n1cc(CF)nn1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole?
The InChIKey is JZDNMMNZIPIIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-7-4-8(11)2-3-10(7)15-6-9(5-12)13-14-15/h2-4,6H,5H2,1H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole?
1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole has a molecular weight of 225.65 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole is sourced from PubChem (CID 118286820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).