2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline

C11H14FN5O — CID 61353277

IUPAC2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline
SMILESCOCC(C)n1nnnc1-c1ccc(F)c(N)c1
InChIInChI=1S/C11H14FN5O/c1-7(6-18-2)17-11(14-15-16-17)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3
InChIKeyJFIWUWJCHLGVIT-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.27
Rot. Bonds4

About 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline

2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline (PubChem CID 61353277) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline
PubChem CID61353277
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline
SMILESCOCC(C)n1nnnc1-c1ccc(F)c(N)c1
InChIInChI=1S/C11H14FN5O/c1-7(6-18-2)17-11(14-15-16-17)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3
InChIKeyJFIWUWJCHLGVIT-UHFFFAOYSA-N
XLogP1.27
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline (CID 61353277) is 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline is COCC(C)n1nnnc1-c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is JFIWUWJCHLGVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-7(6-18-2)17-11(14-15-16-17)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline?
2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 251.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).