1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole

C14H9F3N4O — CID 4880060

IUPAC1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole
SMILESFC(F)(F)c1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-5-4-8-12(9-10)22-13-18-19-20-21(13)11-6-2-1-3-7-11/h1-9H
InChIKeyCPNOTHHKNZKYJS-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.47
Rot. Bonds3

About 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole

1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole (PubChem CID 4880060) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole
PubChem CID4880060
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole
SMILESFC(F)(F)c1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-5-4-8-12(9-10)22-13-18-19-20-21(13)11-6-2-1-3-7-11/h1-9H
InChIKeyCPNOTHHKNZKYJS-UHFFFAOYSA-N
XLogP3.47
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole?
The IUPAC name of 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole (CID 4880060) is 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole.
What is the SMILES notation for 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole?
The canonical SMILES for 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole is FC(F)(F)c1cccc(Oc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole?
The InChIKey is CPNOTHHKNZKYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)10-5-4-8-12(9-10)22-13-18-19-20-21(13)11-6-2-1-3-7-11/h1-9H.
What are the key properties of 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole?
1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole has a molecular weight of 306.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole is sourced from PubChem (CID 4880060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).