3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole

C11H10F3NO — CID 25231248

IUPAC3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole
SMILESC=CCN1c2ccccc2OC1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-2-7-15-8-5-3-4-6-9(8)16-10(15)11(12,13)14/h2-6,10H,1,7H2
InChIKeyDHGXQGUQZUNTOI-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.96
Rot. Bonds2

About 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole

3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole (PubChem CID 25231248) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole
PubChem CID25231248
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole
SMILESC=CCN1c2ccccc2OC1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-2-7-15-8-5-3-4-6-9(8)16-10(15)11(12,13)14/h2-6,10H,1,7H2
InChIKeyDHGXQGUQZUNTOI-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole?
The IUPAC name of 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole (CID 25231248) is 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole.
What is the SMILES notation for 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole?
The canonical SMILES for 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole is C=CCN1c2ccccc2OC1C(F)(F)F.
What is the InChIKey of 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole?
The InChIKey is DHGXQGUQZUNTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-7-15-8-5-3-4-6-9(8)16-10(15)11(12,13)14/h2-6,10H,1,7H2.
What are the key properties of 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole?
3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole has a molecular weight of 229.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2-(trifluoromethyl)-2H-1,3-benzoxazole is sourced from PubChem (CID 25231248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).