1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine

C10H9BrFNO2 — CID 84810181

IUPAC1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESNC1(c2cc3c(c(Br)c2F)OCO3)CC1
InChIInChI=1S/C10H9BrFNO2/c11-7-8(12)5(10(13)1-2-10)3-6-9(7)15-4-14-6/h3H,1-2,4,13H2
InChIKeyFWSBHKGNGBRLFI-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.26
Rot. Bonds1

About 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine

1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine (PubChem CID 84810181) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine
PubChem CID84810181
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine
SMILESNC1(c2cc3c(c(Br)c2F)OCO3)CC1
InChIInChI=1S/C10H9BrFNO2/c11-7-8(12)5(10(13)1-2-10)3-6-9(7)15-4-14-6/h3H,1-2,4,13H2
InChIKeyFWSBHKGNGBRLFI-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine (CID 84810181) is 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine is NC1(c2cc3c(c(Br)c2F)OCO3)CC1.
What is the InChIKey of 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
The InChIKey is FWSBHKGNGBRLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-7-8(12)5(10(13)1-2-10)3-6-9(7)15-4-14-6/h3H,1-2,4,13H2.
What are the key properties of 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine?
1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine has a molecular weight of 274.09 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 84810181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).