2-(trifluoromethyl)-1,3-benzodioxol-2-amine

C8H6F3NO2 — CID 15033371

IUPAC2-(trifluoromethyl)-1,3-benzodioxol-2-amine
SMILESNC1(C(F)(F)F)Oc2ccccc2O1
InChIInChI=1S/C8H6F3NO2/c9-7(10,11)8(12)13-5-3-1-2-4-6(5)14-8/h1-4H,12H2
InChIKeyDBWUPJGZOLJPLU-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.63
Rot. Bonds

About 2-(trifluoromethyl)-1,3-benzodioxol-2-amine

2-(trifluoromethyl)-1,3-benzodioxol-2-amine (PubChem CID 15033371) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-benzodioxol-2-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-benzodioxol-2-amine
PubChem CID15033371
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name2-(trifluoromethyl)-1,3-benzodioxol-2-amine
SMILESNC1(C(F)(F)F)Oc2ccccc2O1
InChIInChI=1S/C8H6F3NO2/c9-7(10,11)8(12)13-5-3-1-2-4-6(5)14-8/h1-4H,12H2
InChIKeyDBWUPJGZOLJPLU-UHFFFAOYSA-N
XLogP1.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-benzodioxol-2-amine?
The IUPAC name of 2-(trifluoromethyl)-1,3-benzodioxol-2-amine (CID 15033371) is 2-(trifluoromethyl)-1,3-benzodioxol-2-amine.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-benzodioxol-2-amine?
The canonical SMILES for 2-(trifluoromethyl)-1,3-benzodioxol-2-amine is NC1(C(F)(F)F)Oc2ccccc2O1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-benzodioxol-2-amine?
The InChIKey is DBWUPJGZOLJPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-7(10,11)8(12)13-5-3-1-2-4-6(5)14-8/h1-4H,12H2.
What are the key properties of 2-(trifluoromethyl)-1,3-benzodioxol-2-amine?
2-(trifluoromethyl)-1,3-benzodioxol-2-amine has a molecular weight of 205.14 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-benzodioxol-2-amine is sourced from PubChem (CID 15033371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).