1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole

C14H7Cl2F3N4 — CID 1474272

IUPAC1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H7Cl2F3N4/c15-11-5-4-10(7-12(11)16)23-13(20-21-22-23)8-2-1-3-9(6-8)14(17,18)19/h1-7H
InChIKeyNCHYSEGFOPYNLF-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.65
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole

1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 1474272) has the molecular formula C14H7Cl2F3N4 and a molecular weight of 359.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID1474272
Molecular FormulaC14H7Cl2F3N4
Molecular Weight359.14 g/mol
Exact Mass358.00
IUPAC Name1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H7Cl2F3N4/c15-11-5-4-10(7-12(11)16)23-13(20-21-22-23)8-2-1-3-9(6-8)14(17,18)19/h1-7H
InChIKeyNCHYSEGFOPYNLF-UHFFFAOYSA-N
XLogP4.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-5-phenyl-1H-tetrazole
CID 773470
1,5-bis(3,4-dichlorophenyl)-1H-1,2,3,4-tetraazole
CID 2799589
5-(2-Chlorophenyl)-1-(4-fluorophenyl)-1,2,3,4-tetraazole
CID 847265
1,5-di(4-chlorophenyl)-1H-1,2,3,4-tetraazole
CID 2799602
1-(4-chlorophenyl)-5-phenyl-1H-tetrazole
CID 767410
5-(3,4-Dichlorophenyl)-1-(3-fluorophenyl)tetrazole
CID 2731551
5-(3,4-Dichlorophenyl)-1-(2,4-dimethylphenyl)tetrazole
CID 2799588
5-(2-Chlorophenyl)-1-(3-fluorophenyl)tetrazole
CID 2799614
N-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 134815487
1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 14027597
1-(4-Chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1h-1,2,4-triazole
CID 139033794
Ultkqznlbbqhro-mvtuoisnsa-
CID 21580116

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole (CID 1474272) is 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is NCHYSEGFOPYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N4/c15-11-5-4-10(7-12(11)16)23-13(20-21-22-23)8-2-1-3-9(6-8)14(17,18)19/h1-7H.
What are the key properties of 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 359.14 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 1474272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).