1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea

C12H12F6N2O2 — CID 948231

IUPAC1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
SMILESCCC(NC(=O)Nc1ccccc1O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F6N2O2/c1-2-10(11(13,14)15,12(16,17)18)20-9(22)19-7-5-3-4-6-8(7)21/h3-6,21H,2H2,1H3,(H2,19,20,22)
InChIKeyVOODCJBMEXPKRW-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea

1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea (PubChem CID 948231) has the molecular formula C12H12F6N2O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
PubChem CID948231
Molecular FormulaC12H12F6N2O2
Molecular Weight330.23 g/mol
Exact Mass330.08
IUPAC Name1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
SMILESCCC(NC(=O)Nc1ccccc1O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F6N2O2/c1-2-10(11(13,14)15,12(16,17)18)20-9(22)19-7-5-3-4-6-8(7)21/h3-6,21H,2H2,1H3,(H2,19,20,22)
InChIKeyVOODCJBMEXPKRW-UHFFFAOYSA-N
XLogP3.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 71672109
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea
CID 108910603
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-propyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 2276908
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
CID 143326178
3-(2-hydroxyanilino)-3-oxopropanoic acid
CID 69016240
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
1-phenyl-4-[sulfino-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamoylamino]amino]benzene
CID 123383705
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
The IUPAC name of 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea (CID 948231) is 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea is CCC(NC(=O)Nc1ccccc1O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
The InChIKey is VOODCJBMEXPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2O2/c1-2-10(11(13,14)15,12(16,17)18)20-9(22)19-7-5-3-4-6-8(7)21/h3-6,21H,2H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea?
1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea has a molecular weight of 330.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea is sourced from PubChem (CID 948231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).