2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol

C9H7F13O2 — CID 23262451

IUPAC2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol
SMILESOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F13O2/c10-4(11,3-24-2-1-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2
InChIKeyKXSPGFSJWMIFOC-UHFFFAOYSA-N
MW394.13 g/mol
LogP3.73
Rot. Bonds8

About 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol (PubChem CID 23262451) has the molecular formula C9H7F13O2 and a molecular weight of 394.13 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol
PubChem CID23262451
Molecular FormulaC9H7F13O2
Molecular Weight394.13 g/mol
Exact Mass394.02
IUPAC Name2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol
SMILESOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F13O2/c10-4(11,3-24-2-1-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2
InChIKeyKXSPGFSJWMIFOC-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.13
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol (CID 23262451) is 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol is OCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol?
The InChIKey is KXSPGFSJWMIFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F13O2/c10-4(11,3-24-2-1-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2.
What are the key properties of 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol?
2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol has a molecular weight of 394.13 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol is sourced from PubChem (CID 23262451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).