3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene

C8H10F6O — CID 54033939

IUPAC3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)OCCC
InChIInChI=1S/C8H10F6O/c1-3-5-15-8(13,14)7(11,12)6(9,10)4-2/h4H,2-3,5H2,1H3
InChIKeyIRGYRFBTPYTCBG-UHFFFAOYSA-N
MW236.15 g/mol
LogP3.46
Rot. Bonds6

About 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene

3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene (PubChem CID 54033939) has the molecular formula C8H10F6O and a molecular weight of 236.15 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene
PubChem CID54033939
Molecular FormulaC8H10F6O
Molecular Weight236.15 g/mol
Exact Mass236.06
IUPAC Name3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)OCCC
InChIInChI=1S/C8H10F6O/c1-3-5-15-8(13,14)7(11,12)6(9,10)4-2/h4H,2-3,5H2,1H3
InChIKeyIRGYRFBTPYTCBG-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene (CID 54033939) is 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)OCCC.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene?
The InChIKey is IRGYRFBTPYTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-3-5-15-8(13,14)7(11,12)6(9,10)4-2/h4H,2-3,5H2,1H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene?
3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene has a molecular weight of 236.15 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-5-propoxypent-1-ene is sourced from PubChem (CID 54033939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).