4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline

C14H11F2N5 — CID 103298122

IUPAC4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
SMILESCc1cc(N)cc(-c2nnnn2-c2ccccc2F)c1F
InChIInChI=1S/C14H11F2N5/c1-8-6-9(17)7-10(13(8)16)14-18-19-20-21(14)12-5-3-2-4-11(12)15/h2-7H,17H2,1H3
InChIKeyVEHZOVVGKDDGPM-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.50
Rot. Bonds2

About 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline

4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline (PubChem CID 103298122) has the molecular formula C14H11F2N5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline.

Molecular Properties

Compound Name4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
PubChem CID103298122
Molecular FormulaC14H11F2N5
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
SMILESCc1cc(N)cc(-c2nnnn2-c2ccccc2F)c1F
InChIInChI=1S/C14H11F2N5/c1-8-6-9(17)7-10(13(8)16)14-18-19-20-21(14)12-5-3-2-4-11(12)15/h2-7H,17H2,1H3
InChIKeyVEHZOVVGKDDGPM-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.50
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-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706309
2-[1-(2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454704
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61352684
3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
CID 103298118
3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61376560
1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole
CID 73052680
3-[1-(2,5-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61353651
2-[1-(2,3-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61376050
3-[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]-4-fluoroaniline
CID 107638672
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61353022
3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]-4-methylaniline
CID 61351662

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline?
The IUPAC name of 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline (CID 103298122) is 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline.
What is the SMILES notation for 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline?
The canonical SMILES for 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline is Cc1cc(N)cc(-c2nnnn2-c2ccccc2F)c1F.
What is the InChIKey of 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline?
The InChIKey is VEHZOVVGKDDGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5/c1-8-6-9(17)7-10(13(8)16)14-18-19-20-21(14)12-5-3-2-4-11(12)15/h2-7H,17H2,1H3.
What are the key properties of 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline?
4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline has a molecular weight of 287.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline is sourced from PubChem (CID 103298122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).