1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane

C7H7F7O — CID 2737631

IUPAC1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane
SMILESC=CCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-2-3-15-4-5(8,9)6(10,11)7(12,13)14/h2H,1,3-4H2
InChIKeyOLXJWIOOAUUDHX-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.02
Rot. Bonds5

About 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane

1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane (PubChem CID 2737631) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane
PubChem CID2737631
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane
SMILESC=CCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-2-3-15-4-5(8,9)6(10,11)7(12,13)14/h2H,1,3-4H2
InChIKeyOLXJWIOOAUUDHX-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.02
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 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane (CID 2737631) is 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane is C=CCOCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane?
The InChIKey is OLXJWIOOAUUDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-2-3-15-4-5(8,9)6(10,11)7(12,13)14/h2H,1,3-4H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane?
1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane has a molecular weight of 240.12 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutane is sourced from PubChem (CID 2737631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).