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

C15H13F3N4 — CID 158213423

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 Name5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole
PubChem CID158213423
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name5-[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
XLogP2.57
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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).