3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene

C6H9F3O — CID 134531024

IUPAC3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)OC
InChIInChI=1S/C6H9F3O/c1-4(2)6(8,9)5(7)10-3/h5H,1H2,2-3H3
InChIKeyCNTFOHZGLGWFIY-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.14
Rot. Bonds3

About 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene

3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene (PubChem CID 134531024) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene.

Molecular Properties

Compound Name3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene
PubChem CID134531024
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)OC
InChIInChI=1S/C6H9F3O/c1-4(2)6(8,9)5(7)10-3/h5H,1H2,2-3H3
InChIKeyCNTFOHZGLGWFIY-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene?
The IUPAC name of 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene (CID 134531024) is 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene.
What is the SMILES notation for 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene?
The canonical SMILES for 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene is C=C(C)C(F)(F)C(F)OC.
What is the InChIKey of 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene?
The InChIKey is CNTFOHZGLGWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4(2)6(8,9)5(7)10-3/h5H,1H2,2-3H3.
What are the key properties of 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene?
3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-methoxy-2-methylbut-1-ene is sourced from PubChem (CID 134531024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).