3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline

C19H13F3N4 — CID 134843933

IUPAC3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline
SMILESFC(F)(F)Cc1c(-c2ccccc2)nnn1-c1cnc2ccccc2c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)11-17-18(13-6-2-1-3-7-13)24-25-26(17)15-10-14-8-4-5-9-16(14)23-12-15/h1-10,12H,11H2
InChIKeyNAXRDOPLPYZJLR-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.59
Rot. Bonds3

About 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline

3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline (PubChem CID 134843933) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline.

Molecular Properties

Compound Name3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline
PubChem CID134843933
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline
SMILESFC(F)(F)Cc1c(-c2ccccc2)nnn1-c1cnc2ccccc2c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)11-17-18(13-6-2-1-3-7-13)24-25-26(17)15-10-14-8-4-5-9-16(14)23-12-15/h1-10,12H,11H2
InChIKeyNAXRDOPLPYZJLR-UHFFFAOYSA-N
XLogP4.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
The IUPAC name of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline (CID 134843933) is 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline.
What is the SMILES notation for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
The canonical SMILES for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline is FC(F)(F)Cc1c(-c2ccccc2)nnn1-c1cnc2ccccc2c1.
What is the InChIKey of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
The InChIKey is NAXRDOPLPYZJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)11-17-18(13-6-2-1-3-7-13)24-25-26(17)15-10-14-8-4-5-9-16(14)23-12-15/h1-10,12H,11H2.
What are the key properties of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline has a molecular weight of 354.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline is sourced from PubChem (CID 134843933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).