4-(2,6-difluoro-4-nitrophenyl)morpholine

C10H10F2N2O3 — CID 22385630

IUPAC4-(2,6-difluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(F)c(N2CCOCC2)c(F)c1
InChIInChI=1S/C10H10F2N2O3/c11-8-5-7(14(15)16)6-9(12)10(8)13-1-3-17-4-2-13/h5-6H,1-4H2
InChIKeyULZHNLWXQZVHLN-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.71
Rot. Bonds2

About 4-(2,6-difluoro-4-nitrophenyl)morpholine

4-(2,6-difluoro-4-nitrophenyl)morpholine (PubChem CID 22385630) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(2,6-difluoro-4-nitrophenyl)morpholine
PubChem CID22385630
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name4-(2,6-difluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(F)c(N2CCOCC2)c(F)c1
InChIInChI=1S/C10H10F2N2O3/c11-8-5-7(14(15)16)6-9(12)10(8)13-1-3-17-4-2-13/h5-6H,1-4H2
InChIKeyULZHNLWXQZVHLN-UHFFFAOYSA-N
XLogP1.71
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-nitrophenyl)morpholine?
The IUPAC name of 4-(2,6-difluoro-4-nitrophenyl)morpholine (CID 22385630) is 4-(2,6-difluoro-4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(2,6-difluoro-4-nitrophenyl)morpholine?
The canonical SMILES for 4-(2,6-difluoro-4-nitrophenyl)morpholine is O=[N+]([O-])c1cc(F)c(N2CCOCC2)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-nitrophenyl)morpholine?
The InChIKey is ULZHNLWXQZVHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-8-5-7(14(15)16)6-9(12)10(8)13-1-3-17-4-2-13/h5-6H,1-4H2.
What are the key properties of 4-(2,6-difluoro-4-nitrophenyl)morpholine?
4-(2,6-difluoro-4-nitrophenyl)morpholine has a molecular weight of 244.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-nitrophenyl)morpholine is sourced from PubChem (CID 22385630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).