3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride

C10H12ClFN2O2 — CID 21069848

IUPAC3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCc1ccc(F)cc1N1CCOC1=O
InChIInChI=1S/C10H11FN2O2.ClH/c11-8-2-1-7(6-12)9(5-8)13-3-4-15-10(13)14;/h1-2,5H,3-4,6,12H2;1H
InChIKeyIUBAVIZVUMADCU-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.66
Rot. Bonds2

About 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride

3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 21069848) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID21069848
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NCc1ccc(F)cc1N1CCOC1=O
InChIInChI=1S/C10H11FN2O2.ClH/c11-8-2-1-7(6-12)9(5-8)13-3-4-15-10(13)14;/h1-2,5H,3-4,6,12H2;1H
InChIKeyIUBAVIZVUMADCU-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 21069848) is 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.NCc1ccc(F)cc1N1CCOC1=O.
What is the InChIKey of 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is IUBAVIZVUMADCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2.ClH/c11-8-2-1-7(6-12)9(5-8)13-3-4-15-10(13)14;/h1-2,5H,3-4,6,12H2;1H.
What are the key properties of 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 246.67 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 21069848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).