4-(difluoromethoxy)-2-methylbut-1-ene

C6H10F2O — CID 152907759

IUPAC4-(difluoromethoxy)-2-methylbut-1-ene
SMILESC=C(C)CCOC(F)F
InChIInChI=1S/C6H10F2O/c1-5(2)3-4-9-6(7)8/h6H,1,3-4H2,2H3
InChIKeyUGPAQVGAZANYDE-UHFFFAOYSA-N
MW136.14 g/mol
LogP2.19
Rot. Bonds4

About 4-(difluoromethoxy)-2-methylbut-1-ene

4-(difluoromethoxy)-2-methylbut-1-ene (PubChem CID 152907759) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-methylbut-1-ene.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-methylbut-1-ene
PubChem CID152907759
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name4-(difluoromethoxy)-2-methylbut-1-ene
SMILESC=C(C)CCOC(F)F
InChIInChI=1S/C6H10F2O/c1-5(2)3-4-9-6(7)8/h6H,1,3-4H2,2H3
InChIKeyUGPAQVGAZANYDE-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 52.19
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 4-(difluoromethoxy)-2-methylbut-1-ene?
The IUPAC name of 4-(difluoromethoxy)-2-methylbut-1-ene (CID 152907759) is 4-(difluoromethoxy)-2-methylbut-1-ene.
What is the SMILES notation for 4-(difluoromethoxy)-2-methylbut-1-ene?
The canonical SMILES for 4-(difluoromethoxy)-2-methylbut-1-ene is C=C(C)CCOC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-2-methylbut-1-ene?
The InChIKey is UGPAQVGAZANYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-5(2)3-4-9-6(7)8/h6H,1,3-4H2,2H3.
What are the key properties of 4-(difluoromethoxy)-2-methylbut-1-ene?
4-(difluoromethoxy)-2-methylbut-1-ene has a molecular weight of 136.14 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-methylbut-1-ene is sourced from PubChem (CID 152907759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).