1-(difluoromethoxy)-1-prop-2-enoxypropane

C7H12F2O2 — CID 173067657

IUPAC1-(difluoromethoxy)-1-prop-2-enoxypropane
SMILESC=CCOC(CC)OC(F)F
InChIInChI=1S/C7H12F2O2/c1-3-5-10-6(4-2)11-7(8)9/h3,6-7H,1,4-5H2,2H3
InChIKeyASCGKUMGAYKBEE-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.16
Rot. Bonds6

About 1-(difluoromethoxy)-1-prop-2-enoxypropane

1-(difluoromethoxy)-1-prop-2-enoxypropane (PubChem CID 173067657) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-(difluoromethoxy)-1-prop-2-enoxypropane.

Molecular Properties

Compound Name1-(difluoromethoxy)-1-prop-2-enoxypropane
PubChem CID173067657
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name1-(difluoromethoxy)-1-prop-2-enoxypropane
SMILESC=CCOC(CC)OC(F)F
InChIInChI=1S/C7H12F2O2/c1-3-5-10-6(4-2)11-7(8)9/h3,6-7H,1,4-5H2,2H3
InChIKeyASCGKUMGAYKBEE-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.16
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 1-(difluoromethoxy)-1-prop-2-enoxypropane?
The IUPAC name of 1-(difluoromethoxy)-1-prop-2-enoxypropane (CID 173067657) is 1-(difluoromethoxy)-1-prop-2-enoxypropane.
What is the SMILES notation for 1-(difluoromethoxy)-1-prop-2-enoxypropane?
The canonical SMILES for 1-(difluoromethoxy)-1-prop-2-enoxypropane is C=CCOC(CC)OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-1-prop-2-enoxypropane?
The InChIKey is ASCGKUMGAYKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-3-5-10-6(4-2)11-7(8)9/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 1-(difluoromethoxy)-1-prop-2-enoxypropane?
1-(difluoromethoxy)-1-prop-2-enoxypropane has a molecular weight of 166.17 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-1-prop-2-enoxypropane is sourced from PubChem (CID 173067657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).