1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane

C5H3F7O — CID 20802177

IUPAC1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane
SMILESC=C(F)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2(6)13-5(11,12)3(7)4(8,9)10/h3H,1H2
InChIKeyHMMGNTVSWLWCJF-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.94
Rot. Bonds3

About 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane

1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane (PubChem CID 20802177) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane
PubChem CID20802177
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane
SMILESC=C(F)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2(6)13-5(11,12)3(7)4(8,9)10/h3H,1H2
InChIKeyHMMGNTVSWLWCJF-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane (CID 20802177) is 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane is C=C(F)OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane?
The InChIKey is HMMGNTVSWLWCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c1-2(6)13-5(11,12)3(7)4(8,9)10/h3H,1H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane has a molecular weight of 212.06 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane is sourced from PubChem (CID 20802177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).