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

C9H10FN5 — CID 61368372

IUPAC3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESFc1cccc(NCCc2nn[nH]n2)c1
InChIInChI=1S/C9H10FN5/c10-7-2-1-3-8(6-7)11-5-4-9-12-14-15-13-9/h1-3,6,11H,4-5H2,(H,12,13,14,15)
InChIKeyIGXFROXDKGTKJH-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.99
Rot. Bonds4

About 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 61368372) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID61368372
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESFc1cccc(NCCc2nn[nH]n2)c1
InChIInChI=1S/C9H10FN5/c10-7-2-1-3-8(6-7)11-5-4-9-12-14-15-13-9/h1-3,6,11H,4-5H2,(H,12,13,14,15)
InChIKeyIGXFROXDKGTKJH-UHFFFAOYSA-N
XLogP0.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Zolertine
CID 23669
N1-(2,4-difluorophenyl)-2-(2H-1,2,3,4-tetraazol-5-yl)acetamide
CID 2799349
2-(1H-tetrazol-5-yl)acetanilide
CID 12590729
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
1H-Tetrazole-5-ethanamine, N-(4-bromophenyl)-
CID 3069789
Zolertine Hydrochloride
CID 9817619
N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799351
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzenamine
CID 15164318
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)-4-[(2H-tetrazol-5-yl)methyl]benzenamine
CID 15164319
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 61368372) is 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is Fc1cccc(NCCc2nn[nH]n2)c1.
What is the InChIKey of 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is IGXFROXDKGTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c10-7-2-1-3-8(6-7)11-5-4-9-12-14-15-13-9/h1-3,6,11H,4-5H2,(H,12,13,14,15).
What are the key properties of 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 207.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 61368372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).