2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane

C6H5F9O — CID 22472468

IUPAC2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane
SMILESCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-2-16-4(9,6(13,14)15)3(7,8)5(10,11)12/h2H2,1H3
InChIKeyDPYDGVMWRLNTFE-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.45
Rot. Bonds3

About 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane

2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane (PubChem CID 22472468) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane
PubChem CID22472468
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane
SMILESCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-2-16-4(9,6(13,14)15)3(7,8)5(10,11)12/h2H2,1H3
InChIKeyDPYDGVMWRLNTFE-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane?
The IUPAC name of 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane (CID 22472468) is 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane.
What is the SMILES notation for 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane?
The canonical SMILES for 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane is CCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane?
The InChIKey is DPYDGVMWRLNTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-2-16-4(9,6(13,14)15)3(7,8)5(10,11)12/h2H2,1H3.
What are the key properties of 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane?
2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane has a molecular weight of 264.09 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 22472468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).