1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol

C10H18F4O3 — CID 18995398

IUPAC1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol
SMILESCCCCCCOCCOC(F)(F)C(O)(F)F
InChIInChI=1S/C10H18F4O3/c1-2-3-4-5-6-16-7-8-17-10(13,14)9(11,12)15/h15H,2-8H2,1H3
InChIKeyDEWRACVHMJXZPY-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.78
Rot. Bonds10

About 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol

1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol (PubChem CID 18995398) has the molecular formula C10H18F4O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol
PubChem CID18995398
Molecular FormulaC10H18F4O3
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol
SMILESCCCCCCOCCOC(F)(F)C(O)(F)F
InChIInChI=1S/C10H18F4O3/c1-2-3-4-5-6-16-7-8-17-10(13,14)9(11,12)15/h15H,2-8H2,1H3
InChIKeyDEWRACVHMJXZPY-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol (CID 18995398) is 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol is CCCCCCOCCOC(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol?
The InChIKey is DEWRACVHMJXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O3/c1-2-3-4-5-6-16-7-8-17-10(13,14)9(11,12)15/h15H,2-8H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol?
1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol has a molecular weight of 262.24 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(2-hexoxyethoxy)ethanol is sourced from PubChem (CID 18995398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).