2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline

C10H12FN5 — CID 58065811

IUPAC2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline
SMILESCC(C)c1cc(F)c(N)cc1-n1cnnn1
InChIInChI=1S/C10H12FN5/c1-6(2)7-3-8(11)9(12)4-10(7)16-5-13-14-15-16/h3-6H,12H2,1-2H3
InChIKeyDSJIYBBITAACBX-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.51
Rot. Bonds2

About 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline

2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline (PubChem CID 58065811) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline
PubChem CID58065811
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline
SMILESCC(C)c1cc(F)c(N)cc1-n1cnnn1
InChIInChI=1S/C10H12FN5/c1-6(2)7-3-8(11)9(12)4-10(7)16-5-13-14-15-16/h3-6H,12H2,1-2H3
InChIKeyDSJIYBBITAACBX-UHFFFAOYSA-N
XLogP1.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-4-propan-2-yl-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline (CID 58065811) is 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline is CC(C)c1cc(F)c(N)cc1-n1cnnn1.
What is the InChIKey of 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline?
The InChIKey is DSJIYBBITAACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-6(2)7-3-8(11)9(12)4-10(7)16-5-13-14-15-16/h3-6H,12H2,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline?
2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline has a molecular weight of 221.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 58065811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).