3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole

C11H7ClF3N3 — CID 53386133

IUPAC3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole
SMILESFC(F)(F)/C=C\n1cnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H7ClF3N3/c12-9-3-1-2-8(6-9)10-16-7-18(17-10)5-4-11(13,14)15/h1-7H/b5-4-
InChIKeyFRCPYJUYERNCED-PLNGDYQASA-N
MW273.65 g/mol
LogP3.63
Rot. Bonds2

About 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole

3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole (PubChem CID 53386133) has the molecular formula C11H7ClF3N3 and a molecular weight of 273.65 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole
PubChem CID53386133
Molecular FormulaC11H7ClF3N3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC Name3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole
SMILESFC(F)(F)/C=C\n1cnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H7ClF3N3/c12-9-3-1-2-8(6-9)10-16-7-18(17-10)5-4-11(13,14)15/h1-7H/b5-4-
InChIKeyFRCPYJUYERNCED-PLNGDYQASA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole?
The IUPAC name of 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole (CID 53386133) is 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole is FC(F)(F)/C=C\n1cnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole?
The InChIKey is FRCPYJUYERNCED-PLNGDYQASA-N. The full InChI is InChI=1S/C11H7ClF3N3/c12-9-3-1-2-8(6-9)10-16-7-18(17-10)5-4-11(13,14)15/h1-7H/b5-4-.
What are the key properties of 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole?
3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole has a molecular weight of 273.65 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(Z)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 53386133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).