1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea

C8H7F3N2O2 — CID 150419702

IUPAC1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)C(F)(F)c1ccccc1F
InChIInChI=1S/C8H7F3N2O2/c9-6-4-2-1-3-5(6)8(10,11)13(15)7(12)14/h1-4,15H,(H2,12,14)
InChIKeyHHMXPUADIGDXDM-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.64
Rot. Bonds2

About 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea

1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea (PubChem CID 150419702) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea
PubChem CID150419702
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)C(F)(F)c1ccccc1F
InChIInChI=1S/C8H7F3N2O2/c9-6-4-2-1-3-5(6)8(10,11)13(15)7(12)14/h1-4,15H,(H2,12,14)
InChIKeyHHMXPUADIGDXDM-UHFFFAOYSA-N
XLogP1.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea?
The IUPAC name of 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea (CID 150419702) is 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea?
The canonical SMILES for 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea is NC(=O)N(O)C(F)(F)c1ccccc1F.
What is the InChIKey of 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea?
The InChIKey is HHMXPUADIGDXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-6-4-2-1-3-5(6)8(10,11)13(15)7(12)14/h1-4,15H,(H2,12,14).
What are the key properties of 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea?
1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea has a molecular weight of 220.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(2-fluorophenyl)methyl]-1-hydroxyurea is sourced from PubChem (CID 150419702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).