1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole

C10H7F4N3 — CID 42633756

IUPAC1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ccc(-n2cnc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C10H7F4N3/c1-6-2-3-8(7(11)4-6)17-5-15-9(16-17)10(12,13)14/h2-5H,1H3
InChIKeyGZCSALPAEFCEIO-UHFFFAOYSA-N
MW245.18 g/mol
LogP2.73
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole

1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 42633756) has the molecular formula C10H7F4N3 and a molecular weight of 245.18 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID42633756
Molecular FormulaC10H7F4N3
Molecular Weight245.18 g/mol
Exact Mass245.06
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ccc(-n2cnc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C10H7F4N3/c1-6-2-3-8(7(11)4-6)17-5-15-9(16-17)10(12,13)14/h2-5H,1H3
InChIKeyGZCSALPAEFCEIO-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole (CID 42633756) is 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole is Cc1ccc(-n2cnc(C(F)(F)F)n2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is GZCSALPAEFCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3/c1-6-2-3-8(7(11)4-6)17-5-15-9(16-17)10(12,13)14/h2-5H,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole?
1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 245.18 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 42633756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).