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

C8H2F12O — CID 15653759

IUPAC3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene
SMILESFC(F)(F)C(=COC=C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-5(10,11)3(6(12,13)14)1-21-2-4(7(15,16)17)8(18,19)20/h1-2H
InChIKeyOLVOGTMAIMZSFH-UHFFFAOYSA-N
MW342.08 g/mol
LogP5.02
Rot. Bonds2

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

3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene (PubChem CID 15653759) has the molecular formula C8H2F12O and a molecular weight of 342.08 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene
PubChem CID15653759
Molecular FormulaC8H2F12O
Molecular Weight342.08 g/mol
Exact Mass341.99
IUPAC Name3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene
SMILESFC(F)(F)C(=COC=C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-5(10,11)3(6(12,13)14)1-21-2-4(7(15,16)17)8(18,19)20/h1-2H
InChIKeyOLVOGTMAIMZSFH-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.08
LogP ≤ 55.02
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 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene (CID 15653759) is 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene is FC(F)(F)C(=COC=C(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene?
The InChIKey is OLVOGTMAIMZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O/c9-5(10,11)3(6(12,13)14)1-21-2-4(7(15,16)17)8(18,19)20/h1-2H.
What are the key properties of 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene?
3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene has a molecular weight of 342.08 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene is sourced from PubChem (CID 15653759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).