[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine

C11H11F2NO2 — CID 126845017

IUPAC[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine
SMILESNCC1C(c2ccc3c(c2)OCO3)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)7(4-14)10(11)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10H,4-5,14H2
InChIKeyAEWZTAUXRGWYSR-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.72
Rot. Bonds2

About [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine

[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine (PubChem CID 126845017) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine
PubChem CID126845017
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine
SMILESNCC1C(c2ccc3c(c2)OCO3)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)7(4-14)10(11)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10H,4-5,14H2
InChIKeyAEWZTAUXRGWYSR-UHFFFAOYSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
The IUPAC name of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine (CID 126845017) is [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
The canonical SMILES for [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine is NCC1C(c2ccc3c(c2)OCO3)C1(F)F.
What is the InChIKey of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
The InChIKey is AEWZTAUXRGWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-11(13)7(4-14)10(11)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10H,4-5,14H2.
What are the key properties of [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine?
[3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine has a molecular weight of 227.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropyl]methanamine is sourced from PubChem (CID 126845017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).