1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene

C7H3F11O — CID 12751226

IUPAC1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene
SMILESCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F11O/c1-19-3(4(8,9)7(16,17)18)2(5(10,11)12)6(13,14)15/h1H3
InChIKeyKNDCMMNRNPVSRZ-UHFFFAOYSA-N
MW312.08 g/mol
LogP4.21
Rot. Bonds2

About 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene

1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene (PubChem CID 12751226) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene
PubChem CID12751226
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene
SMILESCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F11O/c1-19-3(4(8,9)7(16,17)18)2(5(10,11)12)6(13,14)15/h1H3
InChIKeyKNDCMMNRNPVSRZ-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene (CID 12751226) is 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene is COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene?
The InChIKey is KNDCMMNRNPVSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O/c1-19-3(4(8,9)7(16,17)18)2(5(10,11)12)6(13,14)15/h1H3.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene has a molecular weight of 312.08 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,5-octafluoro-3-methoxy-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12751226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).