4-(3-fluoro-2-nitrophenyl)morpholine

C10H11FN2O3 — CID 53255500

IUPAC4-(3-fluoro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCOCC1
InChIInChI=1S/C10H11FN2O3/c11-8-2-1-3-9(10(8)13(14)15)12-4-6-16-7-5-12/h1-3H,4-7H2
InChIKeyJIAGZYCSIUOTRC-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.57
Rot. Bonds2

About 4-(3-fluoro-2-nitrophenyl)morpholine

4-(3-fluoro-2-nitrophenyl)morpholine (PubChem CID 53255500) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 4-(3-fluoro-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(3-fluoro-2-nitrophenyl)morpholine
PubChem CID53255500
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name4-(3-fluoro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCOCC1
InChIInChI=1S/C10H11FN2O3/c11-8-2-1-3-9(10(8)13(14)15)12-4-6-16-7-5-12/h1-3H,4-7H2
InChIKeyJIAGZYCSIUOTRC-UHFFFAOYSA-N
XLogP1.57
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.57
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-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
4-(3-fluoro-2-nitrophenyl)-2-methylmorpholine
CID 61396882
9-(3-fluoro-2-nitrophenyl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479098
4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
CID 63549434
4-(3-fluoro-2-nitrophenyl)-2-methyl-1,4-oxazepane
CID 55141737
2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
CID 47983349
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]acetamide
CID 47389784
4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
CID 133278337
6-fluoro-2-(3-fluoro-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 133422385
2-fluoro-6-morpholin-4-ylphenol
CID 46737228

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-nitrophenyl)morpholine?
The IUPAC name of 4-(3-fluoro-2-nitrophenyl)morpholine (CID 53255500) is 4-(3-fluoro-2-nitrophenyl)morpholine.
What is the SMILES notation for 4-(3-fluoro-2-nitrophenyl)morpholine?
The canonical SMILES for 4-(3-fluoro-2-nitrophenyl)morpholine is O=[N+]([O-])c1c(F)cccc1N1CCOCC1.
What is the InChIKey of 4-(3-fluoro-2-nitrophenyl)morpholine?
The InChIKey is JIAGZYCSIUOTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-8-2-1-3-9(10(8)13(14)15)12-4-6-16-7-5-12/h1-3H,4-7H2.
What are the key properties of 4-(3-fluoro-2-nitrophenyl)morpholine?
4-(3-fluoro-2-nitrophenyl)morpholine has a molecular weight of 226.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-nitrophenyl)morpholine is sourced from PubChem (CID 53255500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).