5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline

C11H12F3N3O3 — CID 141059640

IUPAC5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline
SMILESNc1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)7-5-10(17(18)19)8(15)6-9(7)16-1-3-20-4-2-16/h5-6H,1-4,15H2
InChIKeyZPAXURCWOHBKBQ-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.03
Rot. Bonds2

About 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline

5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline (PubChem CID 141059640) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline
PubChem CID141059640
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline
SMILESNc1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)7-5-10(17(18)19)8(15)6-9(7)16-1-3-20-4-2-16/h5-6H,1-4,15H2
InChIKeyZPAXURCWOHBKBQ-UHFFFAOYSA-N
XLogP2.03
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dinitro-5-piperidin-1-ylaniline
CID 17352651
4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
4-[4-(4-nitro-1H-benzimidazol-2-yl)-2-(trifluoromethyl)phenyl]morpholine
CID 151194790
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
2-morpholin-4-yl-3-nitro-5-propan-2-ylaniline
CID 22752979
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
3-morpholin-4-yl-4-(trifluoromethyl)benzoic acid
CID 121472254
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline?
The IUPAC name of 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline (CID 141059640) is 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline?
The canonical SMILES for 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline is Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline?
The InChIKey is ZPAXURCWOHBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)7-5-10(17(18)19)8(15)6-9(7)16-1-3-20-4-2-16/h5-6H,1-4,15H2.
What are the key properties of 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline?
5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline has a molecular weight of 291.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 141059640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).