[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine

C10H11BrFNO2 — CID 82973726

IUPAC[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
SMILESNCC1(c2cc(Br)ccc2F)OCCO1
InChIInChI=1S/C10H11BrFNO2/c11-7-1-2-9(12)8(5-7)10(6-13)14-3-4-15-10/h1-2,5H,3-4,6,13H2
InChIKeyIOMQWUZBKQFEHS-UHFFFAOYSA-N
MW276.10 g/mol
LogP1.75
Rot. Bonds2

About [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine

[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine (PubChem CID 82973726) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
PubChem CID82973726
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
SMILESNCC1(c2cc(Br)ccc2F)OCCO1
InChIInChI=1S/C10H11BrFNO2/c11-7-1-2-9(12)8(5-7)10(6-13)14-3-4-15-10/h1-2,5H,3-4,6,13H2
InChIKeyIOMQWUZBKQFEHS-UHFFFAOYSA-N
XLogP1.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine (CID 82973726) is [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine is NCC1(c2cc(Br)ccc2F)OCCO1.
What is the InChIKey of [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
The InChIKey is IOMQWUZBKQFEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-7-1-2-9(12)8(5-7)10(6-13)14-3-4-15-10/h1-2,5H,3-4,6,13H2.
What are the key properties of [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine has a molecular weight of 276.10 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 82973726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).