2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane

C8H11F3O2 — CID 162557956

IUPAC2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane
SMILESCC/C(=C/C1OC1OC)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-3-5(8(9,10)11)4-6-7(12-2)13-6/h4,6-7H,3H2,1-2H3/b5-4-
InChIKeyPOPQYCUWWXWMOK-PLNGDYQASA-N
MW196.17 g/mol
LogP2.26
Rot. Bonds3

About 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane

2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane (PubChem CID 162557956) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane.

Molecular Properties

Compound Name2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane
PubChem CID162557956
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane
SMILESCC/C(=C/C1OC1OC)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-3-5(8(9,10)11)4-6-7(12-2)13-6/h4,6-7H,3H2,1-2H3/b5-4-
InChIKeyPOPQYCUWWXWMOK-PLNGDYQASA-N
XLogP2.26
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane?
The IUPAC name of 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane (CID 162557956) is 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane.
What is the SMILES notation for 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane?
The canonical SMILES for 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane is CC/C(=C/C1OC1OC)C(F)(F)F.
What is the InChIKey of 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane?
The InChIKey is POPQYCUWWXWMOK-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11F3O2/c1-3-5(8(9,10)11)4-6-7(12-2)13-6/h4,6-7H,3H2,1-2H3/b5-4-.
What are the key properties of 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane?
2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane has a molecular weight of 196.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(Z)-2-(trifluoromethyl)but-1-enyl]oxirane is sourced from PubChem (CID 162557956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).