1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene

C6H6F6O — CID 54169582

IUPAC1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene
SMILESCOC(=CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H6F6O/c1-13-4(2-5(7,8)9)3-6(10,11)12/h2H,3H2,1H3
InChIKeyOUBLIRNUIBUYNZ-UHFFFAOYSA-N
MW208.10 g/mol
LogP3.03
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene

1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene (PubChem CID 54169582) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene
PubChem CID54169582
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene
SMILESCOC(=CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H6F6O/c1-13-4(2-5(7,8)9)3-6(10,11)12/h2H,3H2,1H3
InChIKeyOUBLIRNUIBUYNZ-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene (CID 54169582) is 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene is COC(=CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
The InChIKey is OUBLIRNUIBUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-13-4(2-5(7,8)9)3-6(10,11)12/h2H,3H2,1H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene has a molecular weight of 208.10 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene is sourced from PubChem (CID 54169582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).