1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole

C8H4ClF3N4 — CID 15470707

IUPAC1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C8H4ClF3N4/c9-5-1-3-6(4-2-5)16-7(8(10,11)12)13-14-15-16/h1-4H
InChIKeyRWHPLCKOAIHOLS-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole

1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 15470707) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole
PubChem CID15470707
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C8H4ClF3N4/c9-5-1-3-6(4-2-5)16-7(8(10,11)12)13-14-15-16/h1-4H
InChIKeyRWHPLCKOAIHOLS-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole (CID 15470707) is 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole is FC(F)(F)c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is RWHPLCKOAIHOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-5-1-3-6(4-2-5)16-7(8(10,11)12)13-14-15-16/h1-4H.
What are the key properties of 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole?
1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 248.60 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 15470707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).