3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene

C6H7F3O2 — CID 122444409

IUPAC3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene
SMILESC=CC(F)OC(=C)OC(F)F
InChIInChI=1S/C6H7F3O2/c1-3-5(7)10-4(2)11-6(8)9/h3,5-6H,1-2H2
InChIKeyKOAAGZVLHGXNCS-UHFFFAOYSA-N
MW168.11 g/mol
LogP2.19
Rot. Bonds5

About 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene

3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene (PubChem CID 122444409) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene.

Molecular Properties

Compound Name3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene
PubChem CID122444409
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene
SMILESC=CC(F)OC(=C)OC(F)F
InChIInChI=1S/C6H7F3O2/c1-3-5(7)10-4(2)11-6(8)9/h3,5-6H,1-2H2
InChIKeyKOAAGZVLHGXNCS-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene?
The IUPAC name of 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene (CID 122444409) is 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene.
What is the SMILES notation for 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene?
The canonical SMILES for 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene is C=CC(F)OC(=C)OC(F)F.
What is the InChIKey of 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene?
The InChIKey is KOAAGZVLHGXNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c1-3-5(7)10-4(2)11-6(8)9/h3,5-6H,1-2H2.
What are the key properties of 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene?
3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene has a molecular weight of 168.11 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethoxy)ethenoxy]-3-fluoroprop-1-ene is sourced from PubChem (CID 122444409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).