4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine

C10H10BrFN2O3 — CID 2881751

IUPAC4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1Br
InChIInChI=1S/C10H10BrFN2O3/c11-9-7(14(15)16)1-2-8(10(9)12)13-3-5-17-6-4-13/h1-2H,3-6H2
InChIKeyIBNQNLQVNNZKDQ-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.33
Rot. Bonds2

About 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine

4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine (PubChem CID 2881751) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine
PubChem CID2881751
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1Br
InChIInChI=1S/C10H10BrFN2O3/c11-9-7(14(15)16)1-2-8(10(9)12)13-3-5-17-6-4-13/h1-2H,3-6H2
InChIKeyIBNQNLQVNNZKDQ-UHFFFAOYSA-N
XLogP2.33
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.33
H-Bond Donors ≤ 50
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 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine?
The IUPAC name of 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine (CID 2881751) is 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine?
The canonical SMILES for 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1Br.
What is the InChIKey of 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine?
The InChIKey is IBNQNLQVNNZKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-9-7(14(15)16)1-2-8(10(9)12)13-3-5-17-6-4-13/h1-2H,3-6H2.
What are the key properties of 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine?
4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine has a molecular weight of 305.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-fluoro-4-nitrophenyl)morpholine is sourced from PubChem (CID 2881751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).