1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane

C5H5F7O — CID 11586547

IUPAC1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-2-13-5(11,12)3(6,7)4(8,9)10/h2H2,1H3
InChIKeyHNQMKNFMSPECFD-UHFFFAOYSA-N
MW214.08 g/mol
LogP2.81
Rot. Bonds3

About 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane

1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 11586547) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID11586547
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-2-13-5(11,12)3(6,7)4(8,9)10/h2H2,1H3
InChIKeyHNQMKNFMSPECFD-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 52.81
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 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane (CID 11586547) is 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane is CCOC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is HNQMKNFMSPECFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O/c1-2-13-5(11,12)3(6,7)4(8,9)10/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane?
1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 214.08 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 11586547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).