(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone

C12H13FN2O5 — CID 70099135

IUPAC(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
SMILESCOc1c([N+](=O)[O-])ccc(C(=O)N2CCOCC2)c1F
InChIInChI=1S/C12H13FN2O5/c1-19-11-9(15(17)18)3-2-8(10(11)13)12(16)14-4-6-20-7-5-14/h2-3H,4-7H2,1H3
InChIKeyIPCQCPASFJLTKF-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.21
Rot. Bonds3

About (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone

(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone (PubChem CID 70099135) has the molecular formula C12H13FN2O5 and a molecular weight of 284.24 g/mol. Its IUPAC name is (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
PubChem CID70099135
Molecular FormulaC12H13FN2O5
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
SMILESCOc1c([N+](=O)[O-])ccc(C(=O)N2CCOCC2)c1F
InChIInChI=1S/C12H13FN2O5/c1-19-11-9(15(17)18)3-2-8(10(11)13)12(16)14-4-6-20-7-5-14/h2-3H,4-7H2,1H3
InChIKeyIPCQCPASFJLTKF-UHFFFAOYSA-N
XLogP1.21
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.21
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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Related Compounds

(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
CID 2781778
(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone
CID 118370997
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
(2-methyl-3,5-dinitrophenyl)-morpholin-4-ylmethanone
CID 3642904
methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate
CID 22636380
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone
CID 17174929
[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490741
1-chloro-2-fluoro-3-methoxy-4-nitrobenzene
CID 130615182
1-(2,3-dimethoxy-4-nitrophenyl)ethanone
CID 142498394
(2,3-difluorophenyl)-[4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)piperazin-1-yl]methanone
CID 2877297

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone (CID 70099135) is (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone is COc1c([N+](=O)[O-])ccc(C(=O)N2CCOCC2)c1F.
What is the InChIKey of (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone?
The InChIKey is IPCQCPASFJLTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5/c1-19-11-9(15(17)18)3-2-8(10(11)13)12(16)14-4-6-20-7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone?
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone has a molecular weight of 284.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 70099135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).