6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine

C10H11F2NO2 — CID 175385034

IUPAC6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine
SMILESCCc1ccc2c(c1N)COC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-2-6-3-4-8-7(9(6)13)5-14-10(11,12)15-8/h3-4H,2,5,13H2,1H3
InChIKeyDNODODAFYIIZAW-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.29
Rot. Bonds1

About 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine

6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine (PubChem CID 175385034) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine.

Molecular Properties

Compound Name6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine
PubChem CID175385034
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine
SMILESCCc1ccc2c(c1N)COC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-2-6-3-4-8-7(9(6)13)5-14-10(11,12)15-8/h3-4H,2,5,13H2,1H3
InChIKeyDNODODAFYIIZAW-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine?
The IUPAC name of 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine (CID 175385034) is 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine.
What is the SMILES notation for 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine?
The canonical SMILES for 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine is CCc1ccc2c(c1N)COC(F)(F)O2.
What is the InChIKey of 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine?
The InChIKey is DNODODAFYIIZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-2-6-3-4-8-7(9(6)13)5-14-10(11,12)15-8/h3-4H,2,5,13H2,1H3.
What are the key properties of 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine?
6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine has a molecular weight of 215.20 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2-difluoro-4H-1,3-benzodioxin-5-amine is sourced from PubChem (CID 175385034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).