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

C15H9ClF4N4O — CID 155153933

IUPAC5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole
SMILESFc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H9ClF4N4O/c16-12-6-10(15(18,19)20)1-2-13(12)25-7-8-3-9(5-11(17)4-8)14-21-23-24-22-14/h1-6H,7H2,(H,21,22,23,24)
InChIKeyVLHTWKQWRYQIKP-UHFFFAOYSA-N
MW372.71 g/mol
LogP4.26
Rot. Bonds4

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

5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole (PubChem CID 155153933) has the molecular formula C15H9ClF4N4O and a molecular weight of 372.71 g/mol. Its IUPAC name is 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole
PubChem CID155153933
Molecular FormulaC15H9ClF4N4O
Molecular Weight372.71 g/mol
Exact Mass372.04
IUPAC Name5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole
SMILESFc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H9ClF4N4O/c16-12-6-10(15(18,19)20)1-2-13(12)25-7-8-3-9(5-11(17)4-8)14-21-23-24-22-14/h1-6H,7H2,(H,21,22,23,24)
InChIKeyVLHTWKQWRYQIKP-UHFFFAOYSA-N
XLogP4.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.71
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole (CID 155153933) is 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole is Fc1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole?
The InChIKey is VLHTWKQWRYQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4O/c16-12-6-10(15(18,19)20)1-2-13(12)25-7-8-3-9(5-11(17)4-8)14-21-23-24-22-14/h1-6H,7H2,(H,21,22,23,24).
What are the key properties of 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole?
5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole has a molecular weight of 372.71 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorophenyl]-2H-tetrazole is sourced from PubChem (CID 155153933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).