4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline

C9H10FN5 — CID 69214563

IUPAC4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1nn[nH]n1
InChIInChI=1S/C9H10FN5/c1-6(9-12-14-15-13-9)11-8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13,14,15)
InChIKeyAIUXZINFUPEDSH-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.51
Rot. Bonds3

About 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline

4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 69214563) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID69214563
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1nn[nH]n1
InChIInChI=1S/C9H10FN5/c1-6(9-12-14-15-13-9)11-8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13,14,15)
InChIKeyAIUXZINFUPEDSH-UHFFFAOYSA-N
XLogP1.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Zolertine
CID 23669
1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
1H-Tetrazole-5-ethanamine, N-(3-methylphenyl)-
CID 3041344
1H-Tetrazole-5-ethanamine, N-(4-methylphenyl)-
CID 3041347
Zolertine Hydrochloride
CID 9817619
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzenamine
CID 15164318
4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
CID 71991030
N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191162
N-octyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191163
N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191164
N-dodecyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191165
N-[(2-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191202

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline (CID 69214563) is 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline is CC(Nc1ccc(F)cc1)c1nn[nH]n1.
What is the InChIKey of 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is AIUXZINFUPEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-6(9-12-14-15-13-9)11-8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13,14,15).
What are the key properties of 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline?
4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 207.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 69214563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).