3,3-difluoro-2-methoxybut-1-ene;ethene

C7H12F2O — CID 143721683

IUPAC3,3-difluoro-2-methoxybut-1-ene;ethene
SMILESC=C.C=C(OC)C(C)(F)F
InChIInChI=1S/C5H8F2O.C2H4/c1-4(8-3)5(2,6)7;1-2/h1H2,2-3H3;1-2H2
InChIKeyUPBYPZVSHCCZTD-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.60
Rot. Bonds2

About 3,3-difluoro-2-methoxybut-1-ene;ethene

3,3-difluoro-2-methoxybut-1-ene;ethene (PubChem CID 143721683) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3,3-difluoro-2-methoxybut-1-ene;ethene.

Molecular Properties

Compound Name3,3-difluoro-2-methoxybut-1-ene;ethene
PubChem CID143721683
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3,3-difluoro-2-methoxybut-1-ene;ethene
SMILESC=C.C=C(OC)C(C)(F)F
InChIInChI=1S/C5H8F2O.C2H4/c1-4(8-3)5(2,6)7;1-2/h1H2,2-3H3;1-2H2
InChIKeyUPBYPZVSHCCZTD-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methoxybut-1-ene;ethene?
The IUPAC name of 3,3-difluoro-2-methoxybut-1-ene;ethene (CID 143721683) is 3,3-difluoro-2-methoxybut-1-ene;ethene.
What is the SMILES notation for 3,3-difluoro-2-methoxybut-1-ene;ethene?
The canonical SMILES for 3,3-difluoro-2-methoxybut-1-ene;ethene is C=C.C=C(OC)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-methoxybut-1-ene;ethene?
The InChIKey is UPBYPZVSHCCZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O.C2H4/c1-4(8-3)5(2,6)7;1-2/h1H2,2-3H3;1-2H2.
What are the key properties of 3,3-difluoro-2-methoxybut-1-ene;ethene?
3,3-difluoro-2-methoxybut-1-ene;ethene has a molecular weight of 150.17 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methoxybut-1-ene;ethene is sourced from PubChem (CID 143721683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).