1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole

C13H13Cl2F2N3O — CID 58921762

IUPAC1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole
SMILESFC(F)COCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2F2N3O/c14-10-1-2-11(12(15)3-10)9(5-21-6-13(16)17)4-20-8-18-7-19-20/h1-3,7-9,13H,4-6H2
InChIKeyRPUYUINERJIGQX-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.65
Rot. Bonds7

About 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole

1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole (PubChem CID 58921762) has the molecular formula C13H13Cl2F2N3O and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole
PubChem CID58921762
Molecular FormulaC13H13Cl2F2N3O
Molecular Weight336.17 g/mol
Exact Mass335.04
IUPAC Name1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole
SMILESFC(F)COCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2F2N3O/c14-10-1-2-11(12(15)3-10)9(5-21-6-13(16)17)4-20-8-18-7-19-20/h1-3,7-9,13H,4-6H2
InChIKeyRPUYUINERJIGQX-UHFFFAOYSA-N
XLogP3.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propoxy]propanenitrile
CID 10568043
1-[2-(2,4-dichlorophenyl)-3-[(E)-3-phenylprop-2-enoxy]propyl]-1,2,4-triazole
CID 10572328
2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 23634981
1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)propyl]-1,2,4-triazole;nitric acid
CID 70453607
5-chloro-2-[1-(1,1,2,2-tetrafluoroethoxy)-3-(1,2,4-triazol-1-yl)propan-2-yl]phenol
CID 145097088
N-benzyl-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 23635099
1-[2-(2,4-dichlorophenyl)-4-methylpentyl]-1,2,4-triazole;nitric acid
CID 70453532
N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 23634861
1-[3-(2,4-dichlorophenyl)-6-[4-(2,4-dichlorophenyl)-1,1,2,2-tetrafluoro-6-(1,2,4-triazol-1-yl)hexoxy]-5,5,6,6-tetrafluorohexyl]-1,2,4-triazole
CID 23213337
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol
CID 89492984
1-[2-(2,4-dichlorophenyl)-2-ethoxyethyl]-1,2,4-triazole;nitric acid
CID 70453630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole (CID 58921762) is 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole is FC(F)COCC(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole?
The InChIKey is RPUYUINERJIGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F2N3O/c14-10-1-2-11(12(15)3-10)9(5-21-6-13(16)17)4-20-8-18-7-19-20/h1-3,7-9,13H,4-6H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole?
1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole has a molecular weight of 336.17 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole is sourced from PubChem (CID 58921762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).