1-(fluoromethoxy)-3-methylbut-2-ene

C6H11FO — CID 166126201

IUPAC1-(fluoromethoxy)-3-methylbut-2-ene
SMILESCC(C)=CCOCF
InChIInChI=1S/C6H11FO/c1-6(2)3-4-8-5-7/h3H,4-5H2,1-2H3
InChIKeyWTQBSOCHYWPGHM-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.90
Rot. Bonds3

About 1-(fluoromethoxy)-3-methylbut-2-ene

1-(fluoromethoxy)-3-methylbut-2-ene (PubChem CID 166126201) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 1-(fluoromethoxy)-3-methylbut-2-ene.

Molecular Properties

Compound Name1-(fluoromethoxy)-3-methylbut-2-ene
PubChem CID166126201
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name1-(fluoromethoxy)-3-methylbut-2-ene
SMILESCC(C)=CCOCF
InChIInChI=1S/C6H11FO/c1-6(2)3-4-8-5-7/h3H,4-5H2,1-2H3
InChIKeyWTQBSOCHYWPGHM-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(fluoromethoxy)-3-methylbut-2-ene 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 1-(fluoromethoxy)-3-methylbut-2-ene?
The IUPAC name of 1-(fluoromethoxy)-3-methylbut-2-ene (CID 166126201) is 1-(fluoromethoxy)-3-methylbut-2-ene.
What is the SMILES notation for 1-(fluoromethoxy)-3-methylbut-2-ene?
The canonical SMILES for 1-(fluoromethoxy)-3-methylbut-2-ene is CC(C)=CCOCF.
What is the InChIKey of 1-(fluoromethoxy)-3-methylbut-2-ene?
The InChIKey is WTQBSOCHYWPGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-6(2)3-4-8-5-7/h3H,4-5H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-3-methylbut-2-ene?
1-(fluoromethoxy)-3-methylbut-2-ene has a molecular weight of 118.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-3-methylbut-2-ene is sourced from PubChem (CID 166126201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).