5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole

C14H9F3N4O — CID 86133980

IUPAC5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccc(-n2nnnc2Oc2ccccc2)cc1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-6-8-11(9-7-10)21-13(18-19-20-21)22-12-4-2-1-3-5-12/h1-9H
InChIKeyRQVLAYCTZKKCGP-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.47
Rot. Bonds3

About 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole

5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole (PubChem CID 86133980) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole
PubChem CID86133980
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccc(-n2nnnc2Oc2ccccc2)cc1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-6-8-11(9-7-10)21-13(18-19-20-21)22-12-4-2-1-3-5-12/h1-9H
InChIKeyRQVLAYCTZKKCGP-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 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole (CID 86133980) is 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1ccc(-n2nnnc2Oc2ccccc2)cc1.
What is the InChIKey of 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is RQVLAYCTZKKCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)10-6-8-11(9-7-10)21-13(18-19-20-21)22-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole?
5-phenoxy-1-[4-(trifluoromethyl)phenyl]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 5-phenoxy-1-[4-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 86133980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).