5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one

C10H10F3NO3 — CID 171919132

IUPAC5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one
SMILESCC1(C)Cc2noc(C(F)(F)F)c2C(=O)C1O
InChIInChI=1S/C10H10F3NO3/c1-9(2)3-4-5(6(15)7(9)16)8(17-14-4)10(11,12)13/h7,16H,3H2,1-2H3
InChIKeyZLRKVWNLMQVCDK-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.82
Rot. Bonds

About 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one

5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one (PubChem CID 171919132) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one.

Molecular Properties

Compound Name5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one
PubChem CID171919132
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one
SMILESCC1(C)Cc2noc(C(F)(F)F)c2C(=O)C1O
InChIInChI=1S/C10H10F3NO3/c1-9(2)3-4-5(6(15)7(9)16)8(17-14-4)10(11,12)13/h7,16H,3H2,1-2H3
InChIKeyZLRKVWNLMQVCDK-UHFFFAOYSA-N
XLogP1.82
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one?
The IUPAC name of 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one (CID 171919132) is 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one.
What is the SMILES notation for 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one?
The canonical SMILES for 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one is CC1(C)Cc2noc(C(F)(F)F)c2C(=O)C1O.
What is the InChIKey of 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one?
The InChIKey is ZLRKVWNLMQVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-9(2)3-4-5(6(15)7(9)16)8(17-14-4)10(11,12)13/h7,16H,3H2,1-2H3.
What are the key properties of 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one?
5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one has a molecular weight of 249.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-2,1-benzoxazol-4-one is sourced from PubChem (CID 171919132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).