4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine

C11H13FN2O3 — CID 2849857

IUPAC4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine
SMILESCc1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O3/c1-8-6-11(13-2-4-17-5-3-13)9(12)7-10(8)14(15)16/h6-7H,2-5H2,1H3
InChIKeyLHUDCVLOZNVKOS-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.88
Rot. Bonds2

About 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine

4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine (PubChem CID 2849857) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine
PubChem CID2849857
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine
SMILESCc1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O3/c1-8-6-11(13-2-4-17-5-3-13)9(12)7-10(8)14(15)16/h6-7H,2-5H2,1H3
InChIKeyLHUDCVLOZNVKOS-UHFFFAOYSA-N
XLogP1.88
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.88
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-fluoro-5-methyl-4-nitrophenyl)morpholine?
The IUPAC name of 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine (CID 2849857) is 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine?
The canonical SMILES for 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine is Cc1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine?
The InChIKey is LHUDCVLOZNVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-8-6-11(13-2-4-17-5-3-13)9(12)7-10(8)14(15)16/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine?
4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine has a molecular weight of 240.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methyl-4-nitrophenyl)morpholine is sourced from PubChem (CID 2849857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).