(E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene

C6H6F6O — CID 121361194

IUPAC(E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene
SMILESCCOC(F)(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C6H6F6O/c1-2-13-6(11,12)4(8)3(7)5(9)10/h5H,2H2,1H3/b4-3+
InChIKeyMRCIILRNCTZXQR-ONEGZZNKSA-N
MW208.10 g/mol
LogP3.03
Rot. Bonds4

About (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene

(E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene (PubChem CID 121361194) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene
PubChem CID121361194
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name(E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene
SMILESCCOC(F)(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C6H6F6O/c1-2-13-6(11,12)4(8)3(7)5(9)10/h5H,2H2,1H3/b4-3+
InChIKeyMRCIILRNCTZXQR-ONEGZZNKSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene?
The IUPAC name of (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene (CID 121361194) is (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene.
What is the SMILES notation for (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene?
The canonical SMILES for (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene is CCOC(F)(F)/C(F)=C(\F)C(F)F.
What is the InChIKey of (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene?
The InChIKey is MRCIILRNCTZXQR-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H6F6O/c1-2-13-6(11,12)4(8)3(7)5(9)10/h5H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene?
(E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene has a molecular weight of 208.10 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene is sourced from PubChem (CID 121361194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).