2-(3,4-difluoro-5-nitrophenyl)morpholine

C10H10F2N2O3 — CID 117361894

IUPAC2-(3,4-difluoro-5-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(C2CNCCO2)cc(F)c1F
InChIInChI=1S/C10H10F2N2O3/c11-7-3-6(9-5-13-1-2-17-9)4-8(10(7)12)14(15)16/h3-4,9,13H,1-2,5H2
InChIKeyXBIKQBOODUZSKQ-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.53
Rot. Bonds2

About 2-(3,4-difluoro-5-nitrophenyl)morpholine

2-(3,4-difluoro-5-nitrophenyl)morpholine (PubChem CID 117361894) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-(3,4-difluoro-5-nitrophenyl)morpholine.

Molecular Properties

Compound Name2-(3,4-difluoro-5-nitrophenyl)morpholine
PubChem CID117361894
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name2-(3,4-difluoro-5-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(C2CNCCO2)cc(F)c1F
InChIInChI=1S/C10H10F2N2O3/c11-7-3-6(9-5-13-1-2-17-9)4-8(10(7)12)14(15)16/h3-4,9,13H,1-2,5H2
InChIKeyXBIKQBOODUZSKQ-UHFFFAOYSA-N
XLogP1.53
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-(3,4-difluoro-5-nitrophenyl)morpholine?
The IUPAC name of 2-(3,4-difluoro-5-nitrophenyl)morpholine (CID 117361894) is 2-(3,4-difluoro-5-nitrophenyl)morpholine.
What is the SMILES notation for 2-(3,4-difluoro-5-nitrophenyl)morpholine?
The canonical SMILES for 2-(3,4-difluoro-5-nitrophenyl)morpholine is O=[N+]([O-])c1cc(C2CNCCO2)cc(F)c1F.
What is the InChIKey of 2-(3,4-difluoro-5-nitrophenyl)morpholine?
The InChIKey is XBIKQBOODUZSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-7-3-6(9-5-13-1-2-17-9)4-8(10(7)12)14(15)16/h3-4,9,13H,1-2,5H2.
What are the key properties of 2-(3,4-difluoro-5-nitrophenyl)morpholine?
2-(3,4-difluoro-5-nitrophenyl)morpholine has a molecular weight of 244.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-5-nitrophenyl)morpholine is sourced from PubChem (CID 117361894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).