3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene

C10H10F6O2 — CID 23233588

IUPAC3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene
SMILESC=CCOC(OCC=C)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c1-3-5-17-8(18-6-4-2)7(9(11,12)13)10(14,15)16/h3-4H,1-2,5-6H2
InChIKeyOXEXZRWTRZNYDX-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.73
Rot. Bonds6

About 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene

3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene (PubChem CID 23233588) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene
PubChem CID23233588
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene
SMILESC=CCOC(OCC=C)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c1-3-5-17-8(18-6-4-2)7(9(11,12)13)10(14,15)16/h3-4H,1-2,5-6H2
InChIKeyOXEXZRWTRZNYDX-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene (CID 23233588) is 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene is C=CCOC(OCC=C)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene?
The InChIKey is OXEXZRWTRZNYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O2/c1-3-5-17-8(18-6-4-2)7(9(11,12)13)10(14,15)16/h3-4H,1-2,5-6H2.
What are the key properties of 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene?
3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene has a molecular weight of 276.18 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 23233588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).