4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine

C15H15FN2O3S — CID 133379345

IUPAC4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2F)CC(c2ccsc2)O1
InChIInChI=1S/C15H15FN2O3S/c1-10-7-17(8-15(21-10)11-4-5-22-9-11)14-3-2-12(18(19)20)6-13(14)16/h2-6,9-10,15H,7-8H2,1H3
InChIKeyGDEXPSUSXMLQDS-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.76
Rot. Bonds3

About 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine

4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine (PubChem CID 133379345) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine
PubChem CID133379345
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2F)CC(c2ccsc2)O1
InChIInChI=1S/C15H15FN2O3S/c1-10-7-17(8-15(21-10)11-4-5-22-9-11)14-3-2-12(18(19)20)6-13(14)16/h2-6,9-10,15H,7-8H2,1H3
InChIKeyGDEXPSUSXMLQDS-UHFFFAOYSA-N
XLogP3.76
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone
CID 71919483
(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
CID 99107655
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
1-(2-fluoro-4-nitrophenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228417
(2S,6R)-4-(2-ethyl-4-nitrophenyl)-2,6-dimethylmorpholine
CID 100804874
2-(2-fluoro-4-nitrophenyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322945
(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
2-(2,6-dimethylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 78782987
(3-hydroxy-4-nitrophenyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 102553076
2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 133379222
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine?
The IUPAC name of 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine (CID 133379345) is 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine?
The canonical SMILES for 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine is CC1CN(c2ccc([N+](=O)[O-])cc2F)CC(c2ccsc2)O1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine?
The InChIKey is GDEXPSUSXMLQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-10-7-17(8-15(21-10)11-4-5-22-9-11)14-3-2-12(18(19)20)6-13(14)16/h2-6,9-10,15H,7-8H2,1H3.
What are the key properties of 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine?
4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine has a molecular weight of 322.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133379345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).