1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole

C20H11Cl2F2N3O — CID 86345996

IUPAC1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole
SMILESFc1ccc(-c2cnnn2-c2ccccc2Oc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C20H11Cl2F2N3O/c21-13-6-8-19(14(22)10-13)28-20-4-2-1-3-17(20)27-18(11-25-26-27)12-5-7-15(23)16(24)9-12/h1-11H
InChIKeyIKHSKRYMOHOBSO-UHFFFAOYSA-N
MW418.23 g/mol
LogP6.31
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole

1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole (PubChem CID 86345996) has the molecular formula C20H11Cl2F2N3O and a molecular weight of 418.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole
PubChem CID86345996
Molecular FormulaC20H11Cl2F2N3O
Molecular Weight418.23 g/mol
Exact Mass417.02
IUPAC Name1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole
SMILESFc1ccc(-c2cnnn2-c2ccccc2Oc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C20H11Cl2F2N3O/c21-13-6-8-19(14(22)10-13)28-20-4-2-1-3-17(20)27-18(11-25-26-27)12-5-7-15(23)16(24)9-12/h1-11H
InChIKeyIKHSKRYMOHOBSO-UHFFFAOYSA-N
XLogP6.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.23
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-Dichlorophenoxy)phenyl]-5-methyl-4-phenyltriazole
CID 2805131
N-((5-chloro-3-((2,4-dichlorophenoxy)methyl)-1-phenyl-1h-pyrazol-4-yl)methylene)-4-fluoroaniline
CID 146037860
{4-Chloro-2-[5-(3-trifluoromethylphenyl)-[1,2,3]triazol-1-yl]phenoxy}acetonitrile
CID 24998990
5-(4-Chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole
CID 68880020
1-(5-chloro-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,3-Triazole
CID 70903714
5-Phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole
CID 86345999
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(3-fluorophenyl)triazole
CID 86346042
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(4-fluorophenyl)triazole
CID 86346043
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(2,4-difluorophenyl)triazole
CID 86346046
4-(2-Chloro-4-fluorophenoxy)-3-[5-(2-chlorophenyl)triazol-1-yl]pyridine
CID 86346146
2-[4-Chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenoxy]acetonitrile;ethane
CID 143723773
1H-1,2,3-Triazole, 1-[2-(2,4-dichlorophenoxy)phenyl]-5-phenyl-
CID 2805134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole (CID 86345996) is 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole is Fc1ccc(-c2cnnn2-c2ccccc2Oc2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole?
The InChIKey is IKHSKRYMOHOBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F2N3O/c21-13-6-8-19(14(22)10-13)28-20-4-2-1-3-17(20)27-18(11-25-26-27)12-5-7-15(23)16(24)9-12/h1-11H.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole?
1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole has a molecular weight of 418.23 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole is sourced from PubChem (CID 86345996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).