2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline

C11H13F2N3O3 — CID 103549257

IUPAC2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline
SMILESO=[N+]([O-])c1ccc(F)c(F)c1NCC1COCCN1
InChIInChI=1S/C11H13F2N3O3/c12-8-1-2-9(16(17)18)11(10(8)13)15-5-7-6-19-4-3-14-7/h1-2,7,14-15H,3-6H2
InChIKeyOKPQQSDYIKSPJU-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.27
Rot. Bonds4

About 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline

2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline (PubChem CID 103549257) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline.

Molecular Properties

Compound Name2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline
PubChem CID103549257
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline
SMILESO=[N+]([O-])c1ccc(F)c(F)c1NCC1COCCN1
InChIInChI=1S/C11H13F2N3O3/c12-8-1-2-9(16(17)18)11(10(8)13)15-5-7-6-19-4-3-14-7/h1-2,7,14-15H,3-6H2
InChIKeyOKPQQSDYIKSPJU-UHFFFAOYSA-N
XLogP1.27
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
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-methyl-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549104
2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-difluoro-6-nitroaniline
CID 107389712
4-(morpholin-3-ylmethylamino)-2-nitrobenzonitrile
CID 103549040
3-ethoxy-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549409
2-iodo-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549331
2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548414
6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103549150
3-(morpholin-3-ylmethylamino)-2-nitrobenzonitrile
CID 103549058
2-methyl-N-(morpholin-3-ylmethyl)-6-nitrobenzenesulfonamide
CID 103548838
(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
CID 171193204
N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide
CID 81309920

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline?
The IUPAC name of 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline (CID 103549257) is 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline.
What is the SMILES notation for 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline?
The canonical SMILES for 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline is O=[N+]([O-])c1ccc(F)c(F)c1NCC1COCCN1.
What is the InChIKey of 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline?
The InChIKey is OKPQQSDYIKSPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c12-8-1-2-9(16(17)18)11(10(8)13)15-5-7-6-19-4-3-14-7/h1-2,7,14-15H,3-6H2.
What are the key properties of 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline?
2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline has a molecular weight of 273.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(morpholin-3-ylmethyl)-6-nitroaniline is sourced from PubChem (CID 103549257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).