3-(difluoromethoxy)-4-morpholin-4-ylaniline

C11H14F2N2O2 — CID 90104676

IUPAC3-(difluoromethoxy)-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)c(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c12-11(13)17-10-7-8(14)1-2-9(10)15-3-5-16-6-4-15/h1-2,7,11H,3-6,14H2
InChIKeyPHDVKVHMONJUDB-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.71
Rot. Bonds3

About 3-(difluoromethoxy)-4-morpholin-4-ylaniline

3-(difluoromethoxy)-4-morpholin-4-ylaniline (PubChem CID 90104676) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-morpholin-4-ylaniline
PubChem CID90104676
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-(difluoromethoxy)-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)c(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c12-11(13)17-10-7-8(14)1-2-9(10)15-3-5-16-6-4-15/h1-2,7,11H,3-6,14H2
InChIKeyPHDVKVHMONJUDB-UHFFFAOYSA-N
XLogP1.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-morpholin-4-ylaniline?
The IUPAC name of 3-(difluoromethoxy)-4-morpholin-4-ylaniline (CID 90104676) is 3-(difluoromethoxy)-4-morpholin-4-ylaniline.
What is the SMILES notation for 3-(difluoromethoxy)-4-morpholin-4-ylaniline?
The canonical SMILES for 3-(difluoromethoxy)-4-morpholin-4-ylaniline is Nc1ccc(N2CCOCC2)c(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-4-morpholin-4-ylaniline?
The InChIKey is PHDVKVHMONJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-11(13)17-10-7-8(14)1-2-9(10)15-3-5-16-6-4-15/h1-2,7,11H,3-6,14H2.
What are the key properties of 3-(difluoromethoxy)-4-morpholin-4-ylaniline?
3-(difluoromethoxy)-4-morpholin-4-ylaniline has a molecular weight of 244.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-morpholin-4-ylaniline is sourced from PubChem (CID 90104676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).