3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine

C10H13F2N3O — CID 83003966

IUPAC3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NN1CCOCC1
InChIInChI=1S/C10H13F2N3O/c11-7-1-2-8(13)10(9(7)12)14-15-3-5-16-6-4-15/h1-2,14H,3-6,13H2
InChIKeyAUDOVPTZWXLJSC-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.21
Rot. Bonds2

About 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine

3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine (PubChem CID 83003966) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine
PubChem CID83003966
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NN1CCOCC1
InChIInChI=1S/C10H13F2N3O/c11-7-1-2-8(13)10(9(7)12)14-15-3-5-16-6-4-15/h1-2,14H,3-6,13H2
InChIKeyAUDOVPTZWXLJSC-UHFFFAOYSA-N
XLogP1.21
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine (CID 83003966) is 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine is Nc1ccc(F)c(F)c1NN1CCOCC1.
What is the InChIKey of 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine?
The InChIKey is AUDOVPTZWXLJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-7-1-2-8(13)10(9(7)12)14-15-3-5-16-6-4-15/h1-2,14H,3-6,13H2.
What are the key properties of 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine?
3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine has a molecular weight of 229.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-morpholin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 83003966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).