2,5-difluoro-4-morpholin-4-ylaniline

C10H12F2N2O — CID 58072336

IUPAC2,5-difluoro-4-morpholin-4-ylaniline
SMILESNc1cc(F)c(N2CCOCC2)cc1F
InChIInChI=1S/C10H12F2N2O/c11-7-6-10(8(12)5-9(7)13)14-1-3-15-4-2-14/h5-6H,1-4,13H2
InChIKeyOKJDTKMYLKMVCJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.38
Rot. Bonds1

About 2,5-difluoro-4-morpholin-4-ylaniline

2,5-difluoro-4-morpholin-4-ylaniline (PubChem CID 58072336) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2,5-difluoro-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name2,5-difluoro-4-morpholin-4-ylaniline
PubChem CID58072336
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2,5-difluoro-4-morpholin-4-ylaniline
SMILESNc1cc(F)c(N2CCOCC2)cc1F
InChIInChI=1S/C10H12F2N2O/c11-7-6-10(8(12)5-9(7)13)14-1-3-15-4-2-14/h5-6H,1-4,13H2
InChIKeyOKJDTKMYLKMVCJ-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-morpholin-4-ylaniline?
The IUPAC name of 2,5-difluoro-4-morpholin-4-ylaniline (CID 58072336) is 2,5-difluoro-4-morpholin-4-ylaniline.
What is the SMILES notation for 2,5-difluoro-4-morpholin-4-ylaniline?
The canonical SMILES for 2,5-difluoro-4-morpholin-4-ylaniline is Nc1cc(F)c(N2CCOCC2)cc1F.
What is the InChIKey of 2,5-difluoro-4-morpholin-4-ylaniline?
The InChIKey is OKJDTKMYLKMVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-7-6-10(8(12)5-9(7)13)14-1-3-15-4-2-14/h5-6H,1-4,13H2.
What are the key properties of 2,5-difluoro-4-morpholin-4-ylaniline?
2,5-difluoro-4-morpholin-4-ylaniline has a molecular weight of 214.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-morpholin-4-ylaniline is sourced from PubChem (CID 58072336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).