4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole

C19H19ClFN3 — CID 70503297

IUPAC4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole
SMILESCCc1ccc(CC(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClFN3/c1-2-14-3-5-15(6-4-14)11-19(21,12-18-13-22-24-23-18)16-7-9-17(20)10-8-16/h3-10,13H,2,11-12H2,1H3,(H,22,23,24)
InChIKeyWSYYKMIOYMFHOL-UHFFFAOYSA-N
MW343.83 g/mol
LogP4.67
Rot. Bonds6

About 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole

4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole (PubChem CID 70503297) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole
PubChem CID70503297
Molecular FormulaC19H19ClFN3
Molecular Weight343.83 g/mol
Exact Mass343.13
IUPAC Name4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole
SMILESCCc1ccc(CC(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClFN3/c1-2-14-3-5-15(6-4-14)11-19(21,12-18-13-22-24-23-18)16-7-9-17(20)10-8-16/h3-10,13H,2,11-12H2,1H3,(H,22,23,24)
InChIKeyWSYYKMIOYMFHOL-UHFFFAOYSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-chloro-2-(2-phenylethyl)phenyl]-2H-triazole
CID 155548177
4-[1,1-bis(4-chlorophenyl)-1-fluoropropan-2-yl]-2H-triazole
CID 70461758
4-[2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylsulfanyl]-2-fluoropropyl]-2H-triazole
CID 70501736
4-[2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-2-fluoropropyl]-2H-triazole
CID 70501768
4-[2-(4-chlorophenyl)-2-fluoro-3-(2H-triazol-4-yl)propyl]-2H-triazole
CID 70502062
4-[2-(4-chlorophenyl)-3-ethylsulfanyl-2-fluoropropyl]-2H-triazole
CID 70502252
4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole
CID 70502260
4-[2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethylsulfanyl]-2-fluoropropyl]-2H-triazole
CID 70502377
4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole
CID 70502518
4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole
CID 70502560
4-[2-(4-ethylphenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole
CID 70502685
4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole
CID 71108958

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole?
The IUPAC name of 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole (CID 70503297) is 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole is CCc1ccc(CC(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole?
The InChIKey is WSYYKMIOYMFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3/c1-2-14-3-5-15(6-4-14)11-19(21,12-18-13-22-24-23-18)16-7-9-17(20)10-8-16/h3-10,13H,2,11-12H2,1H3,(H,22,23,24).
What are the key properties of 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole?
4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole has a molecular weight of 343.83 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-3-(4-ethylphenyl)-2-fluoropropyl]-2H-triazole is sourced from PubChem (CID 70503297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).