4-(2,3-difluoro-4-nitrophenyl)morpholine

C10H10F2N2O3 — CID 58072318

IUPAC4-(2,3-difluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1F
InChIInChI=1S/C10H10F2N2O3/c11-9-7(13-3-5-17-6-4-13)1-2-8(10(9)12)14(15)16/h1-2H,3-6H2
InChIKeyYLBVZLCQIVCUKF-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.71
Rot. Bonds2

About 4-(2,3-difluoro-4-nitrophenyl)morpholine

4-(2,3-difluoro-4-nitrophenyl)morpholine (PubChem CID 58072318) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(2,3-difluoro-4-nitrophenyl)morpholine
PubChem CID58072318
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name4-(2,3-difluoro-4-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1F
InChIInChI=1S/C10H10F2N2O3/c11-9-7(13-3-5-17-6-4-13)1-2-8(10(9)12)14(15)16/h1-2H,3-6H2
InChIKeyYLBVZLCQIVCUKF-UHFFFAOYSA-N
XLogP1.71
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.71
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-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine
CID 151690779
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322
(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
CID 2781778
(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
CID 45108369
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
CID 54858952
N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 138624235

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-nitrophenyl)morpholine?
The IUPAC name of 4-(2,3-difluoro-4-nitrophenyl)morpholine (CID 58072318) is 4-(2,3-difluoro-4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(2,3-difluoro-4-nitrophenyl)morpholine?
The canonical SMILES for 4-(2,3-difluoro-4-nitrophenyl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-nitrophenyl)morpholine?
The InChIKey is YLBVZLCQIVCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-9-7(13-3-5-17-6-4-13)1-2-8(10(9)12)14(15)16/h1-2H,3-6H2.
What are the key properties of 4-(2,3-difluoro-4-nitrophenyl)morpholine?
4-(2,3-difluoro-4-nitrophenyl)morpholine has a molecular weight of 244.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-nitrophenyl)morpholine is sourced from PubChem (CID 58072318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).