(E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene

C7H8F6O — CID 121361199

IUPAC(E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene
SMILESCCCOC(F)(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C7H8F6O/c1-2-3-14-7(12,13)5(9)4(8)6(10)11/h6H,2-3H2,1H3/b5-4+
InChIKeyBIYGVMBFABAVGM-SNAWJCMRSA-N
MW222.13 g/mol
LogP3.42
Rot. Bonds5

About (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene

(E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene (PubChem CID 121361199) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene.

Molecular Properties

Compound Name(E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene
PubChem CID121361199
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name(E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene
SMILESCCCOC(F)(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C7H8F6O/c1-2-3-14-7(12,13)5(9)4(8)6(10)11/h6H,2-3H2,1H3/b5-4+
InChIKeyBIYGVMBFABAVGM-SNAWJCMRSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene?
The IUPAC name of (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene (CID 121361199) is (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene.
What is the SMILES notation for (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene?
The canonical SMILES for (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene is CCCOC(F)(F)/C(F)=C(\F)C(F)F.
What is the InChIKey of (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene?
The InChIKey is BIYGVMBFABAVGM-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H8F6O/c1-2-3-14-7(12,13)5(9)4(8)6(10)11/h6H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene?
(E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene has a molecular weight of 222.13 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene is sourced from PubChem (CID 121361199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).