1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane

C8H5F13O — CID 87408698

IUPAC1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2-22-8(20,21)5(12,13)4(10,11)3(9,6(14,15)16)7(17,18)19/h2H2,1H3
InChIKeyNMEVVFIQCJPAHZ-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.72
Rot. Bonds5

About 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane

1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane (PubChem CID 87408698) has the molecular formula C8H5F13O and a molecular weight of 364.10 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
PubChem CID87408698
Molecular FormulaC8H5F13O
Molecular Weight364.10 g/mol
Exact Mass364.01
IUPAC Name1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2-22-8(20,21)5(12,13)4(10,11)3(9,6(14,15)16)7(17,18)19/h2H2,1H3
InChIKeyNMEVVFIQCJPAHZ-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 54.72
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-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane (CID 87408698) is 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane is CCOC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
The InChIKey is NMEVVFIQCJPAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O/c1-2-22-8(20,21)5(12,13)4(10,11)3(9,6(14,15)16)7(17,18)19/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane?
1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane has a molecular weight of 364.10 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 87408698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).