5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole

C15H10ClF3N4O2 — CID 155154036

IUPAC5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole
SMILESFC(F)(F)Oc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1
InChIInChI=1S/C15H10ClF3N4O2/c16-12-7-11(25-15(17,18)19)4-5-13(12)24-8-9-2-1-3-10(6-9)14-20-22-23-21-14/h1-7H,8H2,(H,20,21,22,23)
InChIKeyGGORBYYFHYZOSS-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.00
Rot. Bonds5

About 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole

5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole (PubChem CID 155154036) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole
PubChem CID155154036
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole
SMILESFC(F)(F)Oc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1
InChIInChI=1S/C15H10ClF3N4O2/c16-12-7-11(25-15(17,18)19)4-5-13(12)24-8-9-2-1-3-10(6-9)14-20-22-23-21-14/h1-7H,8H2,(H,20,21,22,23)
InChIKeyGGORBYYFHYZOSS-UHFFFAOYSA-N
XLogP4.00
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole (CID 155154036) is 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole is FC(F)(F)Oc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1.
What is the InChIKey of 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole?
The InChIKey is GGORBYYFHYZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c16-12-7-11(25-15(17,18)19)4-5-13(12)24-8-9-2-1-3-10(6-9)14-20-22-23-21-14/h1-7H,8H2,(H,20,21,22,23).
What are the key properties of 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole?
5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole has a molecular weight of 370.72 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 155154036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).