2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone

C12H13FN2O4 — CID 175010779

IUPAC2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1ccc(F)c([N+](=O)[O-])c1)C1CNCCO1
InChIInChI=1S/C12H13FN2O4/c13-9-2-1-8(5-10(9)15(17)18)6-11(16)12-7-14-3-4-19-12/h1-2,5,12,14H,3-4,6-7H2
InChIKeyOLKCHZJRDMPTSN-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.83
Rot. Bonds4

About 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone

2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone (PubChem CID 175010779) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone
PubChem CID175010779
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1ccc(F)c([N+](=O)[O-])c1)C1CNCCO1
InChIInChI=1S/C12H13FN2O4/c13-9-2-1-8(5-10(9)15(17)18)6-11(16)12-7-14-3-4-19-12/h1-2,5,12,14H,3-4,6-7H2
InChIKeyOLKCHZJRDMPTSN-UHFFFAOYSA-N
XLogP0.83
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
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'}

Analyze 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-nitrophenyl)-1-morpholin-2-ylethanone
CID 175008765
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
2-(4-hydroxyphenyl)-1-morpholin-2-ylethanone
CID 116561735
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561773
2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561614
2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
CID 114468447
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66433794
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide
CID 107335167
2-(3,4-difluoro-5-nitrophenyl)morpholine
CID 117361894

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone (CID 175010779) is 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone is O=C(Cc1ccc(F)c([N+](=O)[O-])c1)C1CNCCO1.
What is the InChIKey of 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone?
The InChIKey is OLKCHZJRDMPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-9-2-1-8(5-10(9)15(17)18)6-11(16)12-7-14-3-4-19-12/h1-2,5,12,14H,3-4,6-7H2.
What are the key properties of 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone?
2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone has a molecular weight of 268.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 175010779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).