4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine

C10H10BrFN2O3 — CID 2871883

IUPAC4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1Br
InChIInChI=1S/C10H10BrFN2O3/c11-7-5-10(13-1-3-17-4-2-13)8(12)6-9(7)14(15)16/h5-6H,1-4H2
InChIKeyZRJIAFVOAUKSCO-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.33
Rot. Bonds2

About 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine

4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine (PubChem CID 2871883) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
PubChem CID2871883
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1Br
InChIInChI=1S/C10H10BrFN2O3/c11-7-5-10(13-1-3-17-4-2-13)8(12)6-9(7)14(15)16/h5-6H,1-4H2
InChIKeyZRJIAFVOAUKSCO-UHFFFAOYSA-N
XLogP2.33
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.33
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-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322
1-(5-bromo-2-fluoro-4-nitrophenyl)-4-methylpiperazine
CID 4166671
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
8-(5-bromo-4-fluoro-2-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 116736719
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
methyl 2-fluoro-5-morpholin-4-yl-4-nitrobenzoate
CID 104699514
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
tert-butyl N-(5-fluoro-4-morpholin-4-yl-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171736036
(2-chloro-5,6-difluoro-3-methylphenyl)-[4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)piperazin-1-yl]methanone
CID 2881713
(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 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine?
The IUPAC name of 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine (CID 2871883) is 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine?
The canonical SMILES for 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine is O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1Br.
What is the InChIKey of 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine?
The InChIKey is ZRJIAFVOAUKSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-7-5-10(13-1-3-17-4-2-13)8(12)6-9(7)14(15)16/h5-6H,1-4H2.
What are the key properties of 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine?
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine has a molecular weight of 305.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine is sourced from PubChem (CID 2871883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).