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

C15H10ClF3N4O — CID 155153775

IUPAC5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
SMILESFC(F)(F)c1cc(Cl)ccc1OCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H10ClF3N4O/c16-11-4-5-13(12(7-11)15(17,18)19)24-8-9-2-1-3-10(6-9)14-20-22-23-21-14/h1-7H,8H2,(H,20,21,22,23)
InChIKeyIDBAHGGOABSELF-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.12
Rot. Bonds4

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

5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole (PubChem CID 155153775) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
PubChem CID155153775
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
SMILESFC(F)(F)c1cc(Cl)ccc1OCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H10ClF3N4O/c16-11-4-5-13(12(7-11)15(17,18)19)24-8-9-2-1-3-10(6-9)14-20-22-23-21-14/h1-7H,8H2,(H,20,21,22,23)
InChIKeyIDBAHGGOABSELF-UHFFFAOYSA-N
XLogP4.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[[3-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155153779
5-[3-[(2,3,4-trichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155153780
5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorophenyl]-2H-tetrazole
CID 155153930
5-[5-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorophenyl]-2H-tetrazole
CID 155153931
5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole
CID 155153933
5-[3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155154036
5-[3-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155154038
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2H-tetrazole
CID 155154039
5-[4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155154040
5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154041
5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155154042
5-[3-[[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155784433

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole (CID 155153775) is 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole is FC(F)(F)c1cc(Cl)ccc1OCc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
The InChIKey is IDBAHGGOABSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c16-11-4-5-13(12(7-11)15(17,18)19)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-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole?
5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole has a molecular weight of 354.72 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 155153775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).