2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane

C9H13F3O3 — CID 139860324

IUPAC2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane
SMILESC=COCCOCC(OC=C)C(F)(F)F
InChIInChI=1S/C9H13F3O3/c1-3-13-5-6-14-7-8(15-4-2)9(10,11)12/h3-4,8H,1-2,5-7H2
InChIKeyPOXUNIODOUDSOW-UHFFFAOYSA-N
MW226.19 g/mol
LogP2.25
Rot. Bonds8

About 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane

2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane (PubChem CID 139860324) has the molecular formula C9H13F3O3 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane
PubChem CID139860324
Molecular FormulaC9H13F3O3
Molecular Weight226.19 g/mol
Exact Mass226.08
IUPAC Name2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane
SMILESC=COCCOCC(OC=C)C(F)(F)F
InChIInChI=1S/C9H13F3O3/c1-3-13-5-6-14-7-8(15-4-2)9(10,11)12/h3-4,8H,1-2,5-7H2
InChIKeyPOXUNIODOUDSOW-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane?
The IUPAC name of 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane (CID 139860324) is 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane is C=COCCOCC(OC=C)C(F)(F)F.
What is the InChIKey of 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane?
The InChIKey is POXUNIODOUDSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O3/c1-3-13-5-6-14-7-8(15-4-2)9(10,11)12/h3-4,8H,1-2,5-7H2.
What are the key properties of 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane?
2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane has a molecular weight of 226.19 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-3-(2-ethenoxyethoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 139860324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).