2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine

C19H21FN2O4 — CID 139647194

IUPAC2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine
SMILESCC(COc1ccc([N+](=O)[O-])cc1)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C19H21FN2O4/c1-14(13-26-18-7-5-17(6-8-18)22(23)24)21-9-10-25-19(12-21)15-3-2-4-16(20)11-15/h2-8,11,14,19H,9-10,12-13H2,1H3
InChIKeyZWNPPFCORWPQSH-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.57
Rot. Bonds6

About 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine

2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine (PubChem CID 139647194) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine
PubChem CID139647194
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine
SMILESCC(COc1ccc([N+](=O)[O-])cc1)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C19H21FN2O4/c1-14(13-26-18-7-5-17(6-8-18)22(23)24)21-9-10-25-19(12-21)15-3-2-4-16(20)11-15/h2-8,11,14,19H,9-10,12-13H2,1H3
InChIKeyZWNPPFCORWPQSH-UHFFFAOYSA-N
XLogP3.57
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine?
The IUPAC name of 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine (CID 139647194) is 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine?
The canonical SMILES for 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine is CC(COc1ccc([N+](=O)[O-])cc1)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine?
The InChIKey is ZWNPPFCORWPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-14(13-26-18-7-5-17(6-8-18)22(23)24)21-9-10-25-19(12-21)15-3-2-4-16(20)11-15/h2-8,11,14,19H,9-10,12-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine?
2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine has a molecular weight of 360.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[1-(4-nitrophenoxy)propan-2-yl]morpholine is sourced from PubChem (CID 139647194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).