2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline

C11H14FN5O — CID 55086283

IUPAC2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCOCC(C)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C11H14FN5O/c1-8(6-18-2)14-11-5-9(3-4-10(11)12)17-7-13-15-16-17/h3-5,7-8,14H,6H2,1-2H3
InChIKeyBXICVWURAFMVJD-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.25
Rot. Bonds5

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

2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline (PubChem CID 55086283) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
PubChem CID55086283
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC Name2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCOCC(C)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C11H14FN5O/c1-8(6-18-2)14-11-5-9(3-4-10(11)12)17-7-13-15-16-17/h3-5,7-8,14H,6H2,1-2H3
InChIKeyBXICVWURAFMVJD-UHFFFAOYSA-N
XLogP1.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline (CID 55086283) is 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline is COCC(C)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
The InChIKey is BXICVWURAFMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-8(6-18-2)14-11-5-9(3-4-10(11)12)17-7-13-15-16-17/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline has a molecular weight of 251.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 55086283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).