4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one

C11H11FN2O4 — CID 122576873

IUPAC4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(CF)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H11FN2O4/c12-6-8-3-9(5-10(4-8)14(16)17)13-1-2-18-7-11(13)15/h3-5H,1-2,6-7H2
InChIKeyFMKNEMXAEMHUKO-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.43
Rot. Bonds3

About 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one

4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one (PubChem CID 122576873) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one
PubChem CID122576873
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(CF)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H11FN2O4/c12-6-8-3-9(5-10(4-8)14(16)17)13-1-2-18-7-11(13)15/h3-5H,1-2,6-7H2
InChIKeyFMKNEMXAEMHUKO-UHFFFAOYSA-N
XLogP1.43
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.43
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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Related Compounds

4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
4-(2-bromo-4-nitrophenyl)morpholin-3-one
CID 165482133
4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
CID 137092270
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
CID 66816624
4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine
CID 177331560
4-[3-[(4-methylpiperazin-1-yl)methyl]-5-nitrophenyl]morpholine
CID 69322898
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
4-(4-amino-3-ethynylphenyl)morpholin-3-one
CID 53417795
4-(3-methyl-5-morpholin-4-ylphenyl)morpholin-3-one
CID 59817776

Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one?
The IUPAC name of 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one (CID 122576873) is 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one?
The canonical SMILES for 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one is O=C1COCCN1c1cc(CF)cc([N+](=O)[O-])c1.
What is the InChIKey of 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one?
The InChIKey is FMKNEMXAEMHUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-6-8-3-9(5-10(4-8)14(16)17)13-1-2-18-7-11(13)15/h3-5H,1-2,6-7H2.
What are the key properties of 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one?
4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one has a molecular weight of 254.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one is sourced from PubChem (CID 122576873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).