[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine

C11H14FNO2 — CID 82113320

IUPAC[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCc1cc(C2(CN)OCCO2)ccc1F
InChIInChI=1S/C11H14FNO2/c1-8-6-9(2-3-10(8)12)11(7-13)14-4-5-15-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyCHXJQJVTTGOLNV-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.29
Rot. Bonds2

About [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine

[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine (PubChem CID 82113320) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine
PubChem CID82113320
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCc1cc(C2(CN)OCCO2)ccc1F
InChIInChI=1S/C11H14FNO2/c1-8-6-9(2-3-10(8)12)11(7-13)14-4-5-15-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyCHXJQJVTTGOLNV-UHFFFAOYSA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine (CID 82113320) is [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine is Cc1cc(C2(CN)OCCO2)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine?
The InChIKey is CHXJQJVTTGOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-6-9(2-3-10(8)12)11(7-13)14-4-5-15-11/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine?
[2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine has a molecular weight of 211.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 82113320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).