(E)-1-methoxy-2-(trifluoromethyl)but-1-ene

C6H9F3O — CID 135181225

IUPAC(E)-1-methoxy-2-(trifluoromethyl)but-1-ene
SMILESCC/C(=C\OC)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-5(4-10-2)6(7,8)9/h4H,3H2,1-2H3/b5-4+
InChIKeySMWPZGXQSZBUAL-SNAWJCMRSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds2

About (E)-1-methoxy-2-(trifluoromethyl)but-1-ene

(E)-1-methoxy-2-(trifluoromethyl)but-1-ene (PubChem CID 135181225) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is (E)-1-methoxy-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name(E)-1-methoxy-2-(trifluoromethyl)but-1-ene
PubChem CID135181225
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name(E)-1-methoxy-2-(trifluoromethyl)but-1-ene
SMILESCC/C(=C\OC)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-5(4-10-2)6(7,8)9/h4H,3H2,1-2H3/b5-4+
InChIKeySMWPZGXQSZBUAL-SNAWJCMRSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-2-(trifluoromethyl)but-1-ene?
The IUPAC name of (E)-1-methoxy-2-(trifluoromethyl)but-1-ene (CID 135181225) is (E)-1-methoxy-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for (E)-1-methoxy-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for (E)-1-methoxy-2-(trifluoromethyl)but-1-ene is CC/C(=C\OC)C(F)(F)F.
What is the InChIKey of (E)-1-methoxy-2-(trifluoromethyl)but-1-ene?
The InChIKey is SMWPZGXQSZBUAL-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H9F3O/c1-3-5(4-10-2)6(7,8)9/h4H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-1-methoxy-2-(trifluoromethyl)but-1-ene?
(E)-1-methoxy-2-(trifluoromethyl)but-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 135181225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).