4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine

C9H11FN6 — CID 62376634

IUPAC4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine
SMILESCC(Nc1cc(F)ccc1N)c1nn[nH]n1
InChIInChI=1S/C9H11FN6/c1-5(9-13-15-16-14-9)12-8-4-6(10)2-3-7(8)11/h2-5,12H,11H2,1H3,(H,13,14,15,16)
InChIKeyYTXHSIDLSNOQNL-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.09
Rot. Bonds3

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

4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine (PubChem CID 62376634) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine
PubChem CID62376634
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine
SMILESCC(Nc1cc(F)ccc1N)c1nn[nH]n1
InChIInChI=1S/C9H11FN6/c1-5(9-13-15-16-14-9)12-8-4-6(10)2-3-7(8)11/h2-5,12H,11H2,1H3,(H,13,14,15,16)
InChIKeyYTXHSIDLSNOQNL-UHFFFAOYSA-N
XLogP1.09
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Zolertine
CID 23669
1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
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
4-fluoro-N-[(1-methyltetrazol-5-yl)methyl]aniline
CID 69214560
4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
CID 69214563
N-(4-fluorophenyl)-N-(2-methyl-2H-tetrazol-5-ylmethyl)amine
CID 69215565
2-fluoro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 69738800
2-[2-(3,5-Difluorophenyl)tetrazol-5-yl]piperidine
CID 70316790

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine (CID 62376634) is 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine is CC(Nc1cc(F)ccc1N)c1nn[nH]n1.
What is the InChIKey of 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine?
The InChIKey is YTXHSIDLSNOQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-5(9-13-15-16-14-9)12-8-4-6(10)2-3-7(8)11/h2-5,12H,11H2,1H3,(H,13,14,15,16).
What are the key properties of 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine?
4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine has a molecular weight of 222.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 62376634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).