2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine

C12H15FN2O4 — CID 114468447

IUPAC2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
SMILESO=[N+]([O-])c1ccc(COCC2CNCCO2)cc1F
InChIInChI=1S/C12H15FN2O4/c13-11-5-9(1-2-12(11)15(16)17)7-18-8-10-6-14-3-4-19-10/h1-2,5,10,14H,3-4,6-8H2
InChIKeyYMEAZWONQQUPSN-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine

2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine (PubChem CID 114468447) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine.

Molecular Properties

Compound Name2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
PubChem CID114468447
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
SMILESO=[N+]([O-])c1ccc(COCC2CNCCO2)cc1F
InChIInChI=1S/C12H15FN2O4/c13-11-5-9(1-2-12(11)15(16)17)7-18-8-10-6-14-3-4-19-10/h1-2,5,10,14H,3-4,6-8H2
InChIKeyYMEAZWONQQUPSN-UHFFFAOYSA-N
XLogP1.24
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.24
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'}

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Related Compounds

2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine
CID 114468404
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
3-[2-[(3-fluoro-4-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795960
2-(3-fluoro-4-nitrophenyl)-1-morpholin-2-ylethanone
CID 175008765
2-(quinolin-6-ylmethoxymethyl)morpholine
CID 114468331
5-bromo-4-fluoro-N-methyl-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 116739579
4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107906460
4-(morpholin-2-ylmethoxy)-7-nitro-2,1,3-benzoxadiazole
CID 114469249
4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide
CID 114468540
2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]morpholine
CID 114468877
N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66433794
4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
CID 82824688

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine?
The IUPAC name of 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine (CID 114468447) is 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine.
What is the SMILES notation for 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine?
The canonical SMILES for 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine is O=[N+]([O-])c1ccc(COCC2CNCCO2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine?
The InChIKey is YMEAZWONQQUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c13-11-5-9(1-2-12(11)15(16)17)7-18-8-10-6-14-3-4-19-10/h1-2,5,10,14H,3-4,6-8H2.
What are the key properties of 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine?
2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine has a molecular weight of 270.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine is sourced from PubChem (CID 114468447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).