2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline

C13H8Cl2FN5 — CID 61351682

IUPAC2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnnn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2FN5/c14-7-1-3-10(15)12(5-7)21-13(18-19-20-21)9-6-8(16)2-4-11(9)17/h1-6H,17H2
InChIKeyAEKLSSOSQCKFOW-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.36
Rot. Bonds2

About 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline

2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline (PubChem CID 61351682) has the molecular formula C13H8Cl2FN5 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline
PubChem CID61351682
Molecular FormulaC13H8Cl2FN5
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnnn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2FN5/c14-7-1-3-10(15)12(5-7)21-13(18-19-20-21)9-6-8(16)2-4-11(9)17/h1-6H,17H2
InChIKeyAEKLSSOSQCKFOW-UHFFFAOYSA-N
XLogP3.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline (CID 61351682) is 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline is Nc1ccc(F)cc1-c1nnnn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline?
The InChIKey is AEKLSSOSQCKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN5/c14-7-1-3-10(15)12(5-7)21-13(18-19-20-21)9-6-8(16)2-4-11(9)17/h1-6H,17H2.
What are the key properties of 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline?
2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline has a molecular weight of 324.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline is sourced from PubChem (CID 61351682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).