3-[ethoxy(difluoro)methoxy]prop-1-ene

C6H10F2O2 — CID 91171912

IUPAC3-[ethoxy(difluoro)methoxy]prop-1-ene
SMILESC=CCOC(F)(F)OCC
InChIInChI=1S/C6H10F2O2/c1-3-5-10-6(7,8)9-4-2/h3H,1,4-5H2,2H3
InChIKeyKXSZKFVFPVINFL-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.78
Rot. Bonds5

About 3-[ethoxy(difluoro)methoxy]prop-1-ene

3-[ethoxy(difluoro)methoxy]prop-1-ene (PubChem CID 91171912) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 3-[ethoxy(difluoro)methoxy]prop-1-ene.

Molecular Properties

Compound Name3-[ethoxy(difluoro)methoxy]prop-1-ene
PubChem CID91171912
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name3-[ethoxy(difluoro)methoxy]prop-1-ene
SMILESC=CCOC(F)(F)OCC
InChIInChI=1S/C6H10F2O2/c1-3-5-10-6(7,8)9-4-2/h3H,1,4-5H2,2H3
InChIKeyKXSZKFVFPVINFL-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(difluoro)methoxy]prop-1-ene?
The IUPAC name of 3-[ethoxy(difluoro)methoxy]prop-1-ene (CID 91171912) is 3-[ethoxy(difluoro)methoxy]prop-1-ene.
What is the SMILES notation for 3-[ethoxy(difluoro)methoxy]prop-1-ene?
The canonical SMILES for 3-[ethoxy(difluoro)methoxy]prop-1-ene is C=CCOC(F)(F)OCC.
What is the InChIKey of 3-[ethoxy(difluoro)methoxy]prop-1-ene?
The InChIKey is KXSZKFVFPVINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-3-5-10-6(7,8)9-4-2/h3H,1,4-5H2,2H3.
What are the key properties of 3-[ethoxy(difluoro)methoxy]prop-1-ene?
3-[ethoxy(difluoro)methoxy]prop-1-ene has a molecular weight of 152.14 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(difluoro)methoxy]prop-1-ene is sourced from PubChem (CID 91171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).