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

C17H13ClFN3 — CID 10870725

IUPAC1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole
SMILESFc1ccc(/C(=C/c2ccccc2Cl)Cn2cncn2)cc1
InChIInChI=1S/C17H13ClFN3/c18-17-4-2-1-3-14(17)9-15(10-22-12-20-11-21-22)13-5-7-16(19)8-6-13/h1-9,11-12H,10H2/b15-9+
InChIKeyOMUJJDNUQGWFAT-OQLLNIDSSA-N
MW313.76 g/mol
LogP4.31
Rot. Bonds4

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

1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole (PubChem CID 10870725) has the molecular formula C17H13ClFN3 and a molecular weight of 313.76 g/mol. Its IUPAC name is 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole
PubChem CID10870725
Molecular FormulaC17H13ClFN3
Molecular Weight313.76 g/mol
Exact Mass313.08
IUPAC Name1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole
SMILESFc1ccc(/C(=C/c2ccccc2Cl)Cn2cncn2)cc1
InChIInChI=1S/C17H13ClFN3/c18-17-4-2-1-3-14(17)9-15(10-22-12-20-11-21-22)13-5-7-16(19)8-6-13/h1-9,11-12H,10H2/b15-9+
InChIKeyOMUJJDNUQGWFAT-OQLLNIDSSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole?
The IUPAC name of 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole (CID 10870725) is 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole is Fc1ccc(/C(=C/c2ccccc2Cl)Cn2cncn2)cc1.
What is the InChIKey of 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole?
The InChIKey is OMUJJDNUQGWFAT-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H13ClFN3/c18-17-4-2-1-3-14(17)9-15(10-22-12-20-11-21-22)13-5-7-16(19)8-6-13/h1-9,11-12H,10H2/b15-9+.
What are the key properties of 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole?
1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole has a molecular weight of 313.76 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 10870725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).