1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea

C8H6F3N3O4 — CID 174458035

IUPAC1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea
SMILESNC(=O)N(c1cc([N+](=O)[O-])ccc1O)C(F)(F)F
InChIInChI=1S/C8H6F3N3O4/c9-8(10,11)13(7(12)16)5-3-4(14(17)18)1-2-6(5)15/h1-3,15H,(H2,12,16)
InChIKeyBEGJXGWKYVXKDL-UHFFFAOYSA-N
MW265.15 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea

1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea (PubChem CID 174458035) has the molecular formula C8H6F3N3O4 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea
PubChem CID174458035
Molecular FormulaC8H6F3N3O4
Molecular Weight265.15 g/mol
Exact Mass265.03
IUPAC Name1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea
SMILESNC(=O)N(c1cc([N+](=O)[O-])ccc1O)C(F)(F)F
InChIInChI=1S/C8H6F3N3O4/c9-8(10,11)13(7(12)16)5-3-4(14(17)18)1-2-6(5)15/h1-3,15H,(H2,12,16)
InChIKeyBEGJXGWKYVXKDL-UHFFFAOYSA-N
XLogP1.71
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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

N-(4-Hydroxy-3-nitrophenyl)acetamide
CID 3322389
2-Bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
1-(2-Hydroxy-3-nitro-phenyl)-3-phenyl-urea
CID 11414633
Acetamide, N-(2-hydroxy-5-nitrophenyl)-
CID 3292867
Carbanilide, 2-hydroxy-5-nitrothio-
CID 3116400
1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea
CID 11818139
N-(2-hydroxy-5-nitrophenyl)butanamide
CID 3599768
N-(2-hydroxy-5-nitrophenyl)hexanamide
CID 13825721
N-(2-Hydroxy-3-nitrophenyl)acetamide
CID 5373390
Acetamide, N-(3-amino-2-hydroxy-5-nitrophenyl)-
CID 5483351
N-(2-Hydroxy-5-nitrophenyl)formamide
CID 4089953
Acetamide, N-(2-hydroxy-3,5-dinitrophenyl)-
CID 4192962

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea?
The IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea (CID 174458035) is 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea?
The canonical SMILES for 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea is NC(=O)N(c1cc([N+](=O)[O-])ccc1O)C(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea?
The InChIKey is BEGJXGWKYVXKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O4/c9-8(10,11)13(7(12)16)5-3-4(14(17)18)1-2-6(5)15/h1-3,15H,(H2,12,16).
What are the key properties of 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea?
1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea has a molecular weight of 265.15 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea is sourced from PubChem (CID 174458035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).