1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene

C9H7F7O — CID 59259641

IUPAC1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESC=CCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H7F7O/c1-2-3-4-17-6-5(10)7(11,12)9(15,16)8(6,13)14/h2H,1,3-4H2
InChIKeyLEWPTLXFUJDZPB-UHFFFAOYSA-N
MW264.14 g/mol
LogP3.68
Rot. Bonds4

About 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene

1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene (PubChem CID 59259641) has the molecular formula C9H7F7O and a molecular weight of 264.14 g/mol. Its IUPAC name is 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene.

Molecular Properties

Compound Name1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene
PubChem CID59259641
Molecular FormulaC9H7F7O
Molecular Weight264.14 g/mol
Exact Mass264.04
IUPAC Name1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESC=CCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H7F7O/c1-2-3-4-17-6-5(10)7(11,12)9(15,16)8(6,13)14/h2H,1,3-4H2
InChIKeyLEWPTLXFUJDZPB-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene?
The IUPAC name of 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene (CID 59259641) is 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene.
What is the SMILES notation for 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene?
The canonical SMILES for 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene is C=CCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene?
The InChIKey is LEWPTLXFUJDZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F7O/c1-2-3-4-17-6-5(10)7(11,12)9(15,16)8(6,13)14/h2H,1,3-4H2.
What are the key properties of 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene?
1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene has a molecular weight of 264.14 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene is sourced from PubChem (CID 59259641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).