(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine

C8H7F2NO2 — CID 11745360

IUPAC(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine
SMILESNCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2
InChIKeyLZUWIFLVQKZUOO-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.47
Rot. Bonds1

About (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine

(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine (PubChem CID 11745360) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine.

Molecular Properties

Compound Name(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine
PubChem CID11745360
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine
SMILESNCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2
InChIKeyLZUWIFLVQKZUOO-UHFFFAOYSA-N
XLogP1.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine?
The IUPAC name of (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine (CID 11745360) is (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine.
What is the SMILES notation for (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine?
The canonical SMILES for (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine is NCc1cccc2c1OC(F)(F)O2.
What is the InChIKey of (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine?
The InChIKey is LZUWIFLVQKZUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2.
What are the key properties of (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine?
(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine has a molecular weight of 187.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine is sourced from PubChem (CID 11745360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).