1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane

C10H13F3N2O2 — CID 158213715

IUPAC1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane
SMILESC.CNC(=O)N(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2.CH4/c1-13-8(15)14(16)7-4-2-3-6(5-7)9(10,11)12;/h2-5,16H,1H3,(H,13,15);1H4
InChIKeyGCJPOVIFVMOVOC-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.88
Rot. Bonds1

About 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane

1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane (PubChem CID 158213715) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane
PubChem CID158213715
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane
SMILESC.CNC(=O)N(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2.CH4/c1-13-8(15)14(16)7-4-2-3-6(5-7)9(10,11)12;/h2-5,16H,1H3,(H,13,15);1H4
InChIKeyGCJPOVIFVMOVOC-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
N-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 102120901
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 3054397
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane?
The IUPAC name of 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane (CID 158213715) is 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane.
What is the SMILES notation for 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane?
The canonical SMILES for 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane is C.CNC(=O)N(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane?
The InChIKey is GCJPOVIFVMOVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2.CH4/c1-13-8(15)14(16)7-4-2-3-6(5-7)9(10,11)12;/h2-5,16H,1H3,(H,13,15);1H4.
What are the key properties of 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane?
1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane has a molecular weight of 250.22 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane is sourced from PubChem (CID 158213715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).