(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene

C6H4F6O — CID 87392979

IUPAC(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene
SMILESFC(F)(F)/C=C/O/C=C/C(F)(F)F
InChIInChI=1S/C6H4F6O/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H/b3-1+,4-2+
InChIKeyHLWYXYAWRRUNOE-ZPUQHVIOSA-N
MW206.09 g/mol
LogP3.15
Rot. Bonds2

About (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene

(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene (PubChem CID 87392979) has the molecular formula C6H4F6O and a molecular weight of 206.09 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene
PubChem CID87392979
Molecular FormulaC6H4F6O
Molecular Weight206.09 g/mol
Exact Mass206.02
IUPAC Name(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene
SMILESFC(F)(F)/C=C/O/C=C/C(F)(F)F
InChIInChI=1S/C6H4F6O/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H/b3-1+,4-2+
InChIKeyHLWYXYAWRRUNOE-ZPUQHVIOSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 53.15
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 (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene?
The IUPAC name of (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene (CID 87392979) is (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene.
What is the SMILES notation for (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene?
The canonical SMILES for (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene is FC(F)(F)/C=C/O/C=C/C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene?
The InChIKey is HLWYXYAWRRUNOE-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H4F6O/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H/b3-1+,4-2+.
What are the key properties of (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene?
(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene has a molecular weight of 206.09 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enoxy]prop-1-ene is sourced from PubChem (CID 87392979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).