3-(trifluoromethoxymethoxy)prop-1-ene

C5H7F3O2 — CID 118138304

IUPAC3-(trifluoromethoxymethoxy)prop-1-ene
SMILESC=CCOCOC(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-2-3-9-4-10-5(6,7)8/h2H,1,3-4H2
InChIKeyYADWCOFECYUFDK-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.68
Rot. Bonds4

About 3-(trifluoromethoxymethoxy)prop-1-ene

3-(trifluoromethoxymethoxy)prop-1-ene (PubChem CID 118138304) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 3-(trifluoromethoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(trifluoromethoxymethoxy)prop-1-ene
PubChem CID118138304
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name3-(trifluoromethoxymethoxy)prop-1-ene
SMILESC=CCOCOC(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-2-3-9-4-10-5(6,7)8/h2H,1,3-4H2
InChIKeyYADWCOFECYUFDK-UHFFFAOYSA-N
XLogP1.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(trifluoromethoxymethoxy)prop-1-ene?
The IUPAC name of 3-(trifluoromethoxymethoxy)prop-1-ene (CID 118138304) is 3-(trifluoromethoxymethoxy)prop-1-ene.
What is the SMILES notation for 3-(trifluoromethoxymethoxy)prop-1-ene?
The canonical SMILES for 3-(trifluoromethoxymethoxy)prop-1-ene is C=CCOCOC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxymethoxy)prop-1-ene?
The InChIKey is YADWCOFECYUFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-2-3-9-4-10-5(6,7)8/h2H,1,3-4H2.
What are the key properties of 3-(trifluoromethoxymethoxy)prop-1-ene?
3-(trifluoromethoxymethoxy)prop-1-ene has a molecular weight of 156.10 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxymethoxy)prop-1-ene is sourced from PubChem (CID 118138304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).