1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole

C15H8ClF5N4 — CID 23019852

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole
SMILESFc1ccc(Cn2nnnc2-c2cc(F)ccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H8ClF5N4/c16-13-6-10(18)2-1-8(13)7-25-14(22-23-24-25)11-5-9(17)3-4-12(11)15(19,20)21/h1-6H,7H2
InChIKeyIVKUCJRGBRAZIO-UHFFFAOYSA-N
MW374.70 g/mol
LogP4.34
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole

1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole (PubChem CID 23019852) has the molecular formula C15H8ClF5N4 and a molecular weight of 374.70 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole
PubChem CID23019852
Molecular FormulaC15H8ClF5N4
Molecular Weight374.70 g/mol
Exact Mass374.04
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole
SMILESFc1ccc(Cn2nnnc2-c2cc(F)ccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H8ClF5N4/c16-13-6-10(18)2-1-8(13)7-25-14(22-23-24-25)11-5-9(17)3-4-12(11)15(19,20)21/h1-6H,7H2
InChIKeyIVKUCJRGBRAZIO-UHFFFAOYSA-N
XLogP4.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole (CID 23019852) is 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole is Fc1ccc(Cn2nnnc2-c2cc(F)ccc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is IVKUCJRGBRAZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5N4/c16-13-6-10(18)2-1-8(13)7-25-14(22-23-24-25)11-5-9(17)3-4-12(11)15(19,20)21/h1-6H,7H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole?
1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 374.70 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 23019852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).