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

C7H5F9O — CID 14766784

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane
SMILESC=CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-3-17-7(15,16)5(10,11)4(8,9)6(12,13)14/h2H,1,3H2
InChIKeyZPNXRGKEGCDZIH-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.61
Rot. Bonds5

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

1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane (PubChem CID 14766784) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane
PubChem CID14766784
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane
SMILESC=CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-3-17-7(15,16)5(10,11)4(8,9)6(12,13)14/h2H,1,3H2
InChIKeyZPNXRGKEGCDZIH-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.61
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 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane (CID 14766784) is 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane is C=CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane?
The InChIKey is ZPNXRGKEGCDZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c1-2-3-17-7(15,16)5(10,11)4(8,9)6(12,13)14/h2H,1,3H2.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane?
1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane has a molecular weight of 276.10 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-2-enoxybutane is sourced from PubChem (CID 14766784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).