1,1-difluoro-2-methoxy-3-methylbut-1-ene

C6H10F2O — CID 20590725

IUPAC1,1-difluoro-2-methoxy-3-methylbut-1-ene
SMILESCOC(=C(F)F)C(C)C
InChIInChI=1S/C6H10F2O/c1-4(2)5(9-3)6(7)8/h4H,1-3H3
InChIKeyDXPXUGNFLJDTGW-UHFFFAOYSA-N
MW136.14 g/mol
LogP2.40
Rot. Bonds2

About 1,1-difluoro-2-methoxy-3-methylbut-1-ene

1,1-difluoro-2-methoxy-3-methylbut-1-ene (PubChem CID 20590725) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 1,1-difluoro-2-methoxy-3-methylbut-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2-methoxy-3-methylbut-1-ene
PubChem CID20590725
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name1,1-difluoro-2-methoxy-3-methylbut-1-ene
SMILESCOC(=C(F)F)C(C)C
InChIInChI=1S/C6H10F2O/c1-4(2)5(9-3)6(7)8/h4H,1-3H3
InChIKeyDXPXUGNFLJDTGW-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 52.40
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 1,1-difluoro-2-methoxy-3-methylbut-1-ene?
The IUPAC name of 1,1-difluoro-2-methoxy-3-methylbut-1-ene (CID 20590725) is 1,1-difluoro-2-methoxy-3-methylbut-1-ene.
What is the SMILES notation for 1,1-difluoro-2-methoxy-3-methylbut-1-ene?
The canonical SMILES for 1,1-difluoro-2-methoxy-3-methylbut-1-ene is COC(=C(F)F)C(C)C.
What is the InChIKey of 1,1-difluoro-2-methoxy-3-methylbut-1-ene?
The InChIKey is DXPXUGNFLJDTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4(2)5(9-3)6(7)8/h4H,1-3H3.
What are the key properties of 1,1-difluoro-2-methoxy-3-methylbut-1-ene?
1,1-difluoro-2-methoxy-3-methylbut-1-ene has a molecular weight of 136.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methoxy-3-methylbut-1-ene is sourced from PubChem (CID 20590725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).