1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea

C10H11F3N2O2 — CID 13424059

IUPAC1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-15(17-2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
InChIKeyJETUFWCZVPXLOH-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.73
Rot. Bonds2

About 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea

1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 13424059) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID13424059
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-15(17-2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
InChIKeyJETUFWCZVPXLOH-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-3-[3-[3-(trifluoromethyl)phenoxy]phenyl]urea
CID 70613271
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 159194263
3-[3-(2-bromo-1,1,2-trifluoroethoxy)phenyl]-1-methoxy-1-methylurea
CID 21446419
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
1-[(2S)-butan-2-yl]-1-[4-[[(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 98133141
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 61182416
2-oxo-N-[3-(trifluoromethyl)phenyl]propanethioamide
CID 141059114

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (CID 13424059) is 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea is CON(C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is JETUFWCZVPXLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(17-2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16).
What are the key properties of 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 248.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 13424059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).