1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane

C10H17FO3 — CID 89441113

IUPAC1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane
SMILESC=CCOCC(COCF)OCC=C
InChIInChI=1S/C10H17FO3/c1-3-5-12-7-10(8-13-9-11)14-6-4-2/h3-4,10H,1-2,5-9H2
InChIKeyJHIICJNYLWWZBM-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.70
Rot. Bonds10

About 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane

1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane (PubChem CID 89441113) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane.

Molecular Properties

Compound Name1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane
PubChem CID89441113
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane
SMILESC=CCOCC(COCF)OCC=C
InChIInChI=1S/C10H17FO3/c1-3-5-12-7-10(8-13-9-11)14-6-4-2/h3-4,10H,1-2,5-9H2
InChIKeyJHIICJNYLWWZBM-UHFFFAOYSA-N
XLogP1.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane?
The IUPAC name of 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane (CID 89441113) is 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane.
What is the SMILES notation for 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane?
The canonical SMILES for 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane is C=CCOCC(COCF)OCC=C.
What is the InChIKey of 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane?
The InChIKey is JHIICJNYLWWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-3-5-12-7-10(8-13-9-11)14-6-4-2/h3-4,10H,1-2,5-9H2.
What are the key properties of 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane?
1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane has a molecular weight of 204.24 g/mol, XLogP of 1.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-2,3-bis(prop-2-enoxy)propane is sourced from PubChem (CID 89441113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).