5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole

Name: 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₃F₃N₄ — CID 158213423

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole

SMILESFC(F)(F)c1ccc(Cc2ccccc2C2=NNNN2)cc1

InChIInChI=1S/C15H13F3N4/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14-19-21-22-20-14/h1-8,21-22H,9H2,(H,19,20)

InChIKeyLDXSMCFSAZTWLD-UHFFFAOYSA-N

MW306.29 g/mol

LogP2.57

Rot. Bonds3

About 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole

5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole (PubChem CID 158213423) has the molecular formula C₁₅H₁₃F₃N₄ and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole.

Molecular Properties

Compound Name	5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole
PubChem CID	158213423
Molecular Formula	C₁₅H₁₃F₃N₄
Molecular Weight	306.29 g/mol
Exact Mass	306.11
IUPAC Name	5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole
SMILES	FC(F)(F)c1ccc(Cc2ccccc2C2=NNNN2)cc1
InChI	InChI=1S/C15H13F3N4/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14-19-21-22-20-14/h1-8,21-22H,9H2,(H,19,20)
InChIKey	LDXSMCFSAZTWLD-UHFFFAOYSA-N
XLogP	2.57
TPSA	48.45 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.29
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole?

The IUPAC name of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole (CID 158213423) is 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole.

What is the SMILES notation for 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole?

The canonical SMILES for 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole is FC(F)(F)c1ccc(Cc2ccccc2C2=NNNN2)cc1.

What is the InChIKey of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole?

The InChIKey is LDXSMCFSAZTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14-19-21-22-20-14/h1-8,21-22H,9H2,(H,19,20).

What are the key properties of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole?

5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole has a molecular weight of 306.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole is sourced from PubChem (CID 158213423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158213423 — identifiers, structure, computed properties (public domain)

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