1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea

C10H11F3N2O — CID 15700483

IUPAC1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea
SMILESCN(C)C(=O)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-14(2)9(16)15(10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyQKHWTSVCMVBNDZ-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.69
Rot. Bonds1

About 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea

1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea (PubChem CID 15700483) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea
PubChem CID15700483
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea
SMILESCN(C)C(=O)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-14(2)9(16)15(10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyQKHWTSVCMVBNDZ-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea?
The IUPAC name of 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea (CID 15700483) is 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea?
The canonical SMILES for 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea is CN(C)C(=O)N(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea?
The InChIKey is QKHWTSVCMVBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-14(2)9(16)15(10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea?
1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea has a molecular weight of 232.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea is sourced from PubChem (CID 15700483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).