2-(2,2,4,4,4-pentafluorobutoxy)ethanol

C6H9F5O2 — CID 168876131

IUPAC2-(2,2,4,4,4-pentafluorobutoxy)ethanol
SMILESOCCOCC(F)(F)CC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-5(8,3-6(9,10)11)4-13-2-1-12/h12H,1-4H2
InChIKeyWRPNPHCYZZLZIE-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.58
Rot. Bonds5

About 2-(2,2,4,4,4-pentafluorobutoxy)ethanol

2-(2,2,4,4,4-pentafluorobutoxy)ethanol (PubChem CID 168876131) has the molecular formula C6H9F5O2 and a molecular weight of 208.13 g/mol. Its IUPAC name is 2-(2,2,4,4,4-pentafluorobutoxy)ethanol.

Molecular Properties

Compound Name2-(2,2,4,4,4-pentafluorobutoxy)ethanol
PubChem CID168876131
Molecular FormulaC6H9F5O2
Molecular Weight208.13 g/mol
Exact Mass208.05
IUPAC Name2-(2,2,4,4,4-pentafluorobutoxy)ethanol
SMILESOCCOCC(F)(F)CC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-5(8,3-6(9,10)11)4-13-2-1-12/h12H,1-4H2
InChIKeyWRPNPHCYZZLZIE-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol
CID 167253727
2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]ethanol
CID 97109325
2-[2-[2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87962510
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123262216
2-(2-fluoroethoxy)ethanol
CID 9763

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,4,4-pentafluorobutoxy)ethanol?
The IUPAC name of 2-(2,2,4,4,4-pentafluorobutoxy)ethanol (CID 168876131) is 2-(2,2,4,4,4-pentafluorobutoxy)ethanol.
What is the SMILES notation for 2-(2,2,4,4,4-pentafluorobutoxy)ethanol?
The canonical SMILES for 2-(2,2,4,4,4-pentafluorobutoxy)ethanol is OCCOCC(F)(F)CC(F)(F)F.
What is the InChIKey of 2-(2,2,4,4,4-pentafluorobutoxy)ethanol?
The InChIKey is WRPNPHCYZZLZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O2/c7-5(8,3-6(9,10)11)4-13-2-1-12/h12H,1-4H2.
What are the key properties of 2-(2,2,4,4,4-pentafluorobutoxy)ethanol?
2-(2,2,4,4,4-pentafluorobutoxy)ethanol has a molecular weight of 208.13 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,4,4-pentafluorobutoxy)ethanol is sourced from PubChem (CID 168876131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).