2-(difluoromethoxy)prop-1-ene

C4H6F2O — CID 122532973

IUPAC2-(difluoromethoxy)prop-1-ene
SMILESC=C(C)OC(F)F
InChIInChI=1S/C4H6F2O/c1-3(2)7-4(5)6/h4H,1H2,2H3
InChIKeyBHZOHXJRZXXSTG-UHFFFAOYSA-N
MW108.09 g/mol
LogP1.76
Rot. Bonds2

About 2-(difluoromethoxy)prop-1-ene

2-(difluoromethoxy)prop-1-ene (PubChem CID 122532973) has the molecular formula C4H6F2O and a molecular weight of 108.09 g/mol. Its IUPAC name is 2-(difluoromethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(difluoromethoxy)prop-1-ene
PubChem CID122532973
Molecular FormulaC4H6F2O
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Name2-(difluoromethoxy)prop-1-ene
SMILESC=C(C)OC(F)F
InChIInChI=1S/C4H6F2O/c1-3(2)7-4(5)6/h4H,1H2,2H3
InChIKeyBHZOHXJRZXXSTG-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 51.76
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 2-(difluoromethoxy)prop-1-ene?
The IUPAC name of 2-(difluoromethoxy)prop-1-ene (CID 122532973) is 2-(difluoromethoxy)prop-1-ene.
What is the SMILES notation for 2-(difluoromethoxy)prop-1-ene?
The canonical SMILES for 2-(difluoromethoxy)prop-1-ene is C=C(C)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)prop-1-ene?
The InChIKey is BHZOHXJRZXXSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O/c1-3(2)7-4(5)6/h4H,1H2,2H3.
What are the key properties of 2-(difluoromethoxy)prop-1-ene?
2-(difluoromethoxy)prop-1-ene has a molecular weight of 108.09 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)prop-1-ene is sourced from PubChem (CID 122532973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).