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

C14H7Cl2F3N4 — CID 1474294

IUPAC5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H7Cl2F3N4/c15-11-5-4-8(6-12(11)16)13-20-21-22-23(13)10-3-1-2-9(7-10)14(17,18)19/h1-7H
InChIKeyVHHDSRFLKFEJRV-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.65
Rot. Bonds2

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

5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 1474294) has the molecular formula C14H7Cl2F3N4 and a molecular weight of 359.14 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID1474294
Molecular FormulaC14H7Cl2F3N4
Molecular Weight359.14 g/mol
Exact Mass358.00
IUPAC Name5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H7Cl2F3N4/c15-11-5-4-8(6-12(11)16)13-20-21-22-23(13)10-3-1-2-9(7-10)14(17,18)19/h1-7H
InChIKeyVHHDSRFLKFEJRV-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole (CID 1474294) is 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is VHHDSRFLKFEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N4/c15-11-5-4-8(6-12(11)16)13-20-21-22-23(13)10-3-1-2-9(7-10)14(17,18)19/h1-7H.
What are the key properties of 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole?
5-(3,4-dichlorophenyl)-1-[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 5-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 1474294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).