4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine

C9H11ClFN3O — CID 103553405

IUPAC4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine
SMILESNc1cc(N)c(N2CCCO2)c(F)c1Cl
InChIInChI=1S/C9H11ClFN3O/c10-7-5(12)4-6(13)9(8(7)11)14-2-1-3-15-14/h4H,1-3,12-13H2
InChIKeyPUGUSWBDLIHGMI-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.79
Rot. Bonds1

About 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine

4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine (PubChem CID 103553405) has the molecular formula C9H11ClFN3O and a molecular weight of 231.66 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine
PubChem CID103553405
Molecular FormulaC9H11ClFN3O
Molecular Weight231.66 g/mol
Exact Mass231.06
IUPAC Name4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine
SMILESNc1cc(N)c(N2CCCO2)c(F)c1Cl
InChIInChI=1S/C9H11ClFN3O/c10-7-5(12)4-6(13)9(8(7)11)14-2-1-3-15-14/h4H,1-3,12-13H2
InChIKeyPUGUSWBDLIHGMI-UHFFFAOYSA-N
XLogP1.79
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine (CID 103553405) is 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine is Nc1cc(N)c(N2CCCO2)c(F)c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine?
The InChIKey is PUGUSWBDLIHGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3O/c10-7-5(12)4-6(13)9(8(7)11)14-2-1-3-15-14/h4H,1-3,12-13H2.
What are the key properties of 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine?
4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine has a molecular weight of 231.66 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-(1,2-oxazolidin-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 103553405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).