2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine

C13H15F2NO2 — CID 146570509

IUPAC2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine
SMILESCC(C)c1c(N)c2c(c3c1OC(F)(F)O3)CCC2
InChIInChI=1S/C13H15F2NO2/c1-6(2)9-10(16)7-4-3-5-8(7)11-12(9)18-13(14,15)17-11/h6H,3-5,16H2,1-2H3
InChIKeyRFNKRIWCOJDLSR-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.20
Rot. Bonds1

About 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine

2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine (PubChem CID 146570509) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine.

Molecular Properties

Compound Name2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine
PubChem CID146570509
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine
SMILESCC(C)c1c(N)c2c(c3c1OC(F)(F)O3)CCC2
InChIInChI=1S/C13H15F2NO2/c1-6(2)9-10(16)7-4-3-5-8(7)11-12(9)18-13(14,15)17-11/h6H,3-5,16H2,1-2H3
InChIKeyRFNKRIWCOJDLSR-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.20
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 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine?
The IUPAC name of 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine (CID 146570509) is 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine.
What is the SMILES notation for 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine?
The canonical SMILES for 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine is CC(C)c1c(N)c2c(c3c1OC(F)(F)O3)CCC2.
What is the InChIKey of 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine?
The InChIKey is RFNKRIWCOJDLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-6(2)9-10(16)7-4-3-5-8(7)11-12(9)18-13(14,15)17-11/h6H,3-5,16H2,1-2H3.
What are the key properties of 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine?
2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine has a molecular weight of 255.26 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine is sourced from PubChem (CID 146570509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).