5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline

C13H8ClF2N5 — CID 107370319

IUPAC5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline
SMILESNc1cc(-c2nnnn2-c2cc(F)cc(Cl)c2)ccc1F
InChIInChI=1S/C13H8ClF2N5/c14-8-4-9(15)6-10(5-8)21-13(18-19-20-21)7-1-2-11(16)12(17)3-7/h1-6H,17H2
InChIKeyBAPVBAGZSQMSGK-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.84
Rot. Bonds2

About 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline

5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline (PubChem CID 107370319) has the molecular formula C13H8ClF2N5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline.

Molecular Properties

Compound Name5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline
PubChem CID107370319
Molecular FormulaC13H8ClF2N5
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline
SMILESNc1cc(-c2nnnn2-c2cc(F)cc(Cl)c2)ccc1F
InChIInChI=1S/C13H8ClF2N5/c14-8-4-9(15)6-10(5-8)21-13(18-19-20-21)7-1-2-11(16)12(17)3-7/h1-6H,17H2
InChIKeyBAPVBAGZSQMSGK-UHFFFAOYSA-N
XLogP2.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61353255
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107370344
4-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62682445
5-[1-(3-bromophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61354039
3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370317
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
4-bromo-3-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370345
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377538
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
5-[1-(2-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107531057
2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779925

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline?
The IUPAC name of 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline (CID 107370319) is 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline.
What is the SMILES notation for 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline?
The canonical SMILES for 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline is Nc1cc(-c2nnnn2-c2cc(F)cc(Cl)c2)ccc1F.
What is the InChIKey of 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline?
The InChIKey is BAPVBAGZSQMSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N5/c14-8-4-9(15)6-10(5-8)21-13(18-19-20-21)7-1-2-11(16)12(17)3-7/h1-6H,17H2.
What are the key properties of 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline?
5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline has a molecular weight of 307.69 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline is sourced from PubChem (CID 107370319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).