2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol

C8H7F11O3 — CID 14149930

IUPAC2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol
SMILESOCCOCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F11O3/c9-4(6(12,13)14,3-21-2-1-20)22-8(18,19)5(10,11)7(15,16)17/h20H,1-3H2
InChIKeyXMCTXRDKZGLQNU-UHFFFAOYSA-N
MW360.12 g/mol
LogP3.03
Rot. Bonds7

About 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol

2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol (PubChem CID 14149930) has the molecular formula C8H7F11O3 and a molecular weight of 360.12 g/mol. Its IUPAC name is 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol.

Molecular Properties

Compound Name2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol
PubChem CID14149930
Molecular FormulaC8H7F11O3
Molecular Weight360.12 g/mol
Exact Mass360.02
IUPAC Name2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol
SMILESOCCOCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F11O3/c9-4(6(12,13)14,3-21-2-1-20)22-8(18,19)5(10,11)7(15,16)17/h20H,1-3H2
InChIKeyXMCTXRDKZGLQNU-UHFFFAOYSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.12
LogP ≤ 53.03
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 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol?
The IUPAC name of 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol (CID 14149930) is 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol.
What is the SMILES notation for 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol?
The canonical SMILES for 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol is OCCOCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol?
The InChIKey is XMCTXRDKZGLQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11O3/c9-4(6(12,13)14,3-21-2-1-20)22-8(18,19)5(10,11)7(15,16)17/h20H,1-3H2.
What are the key properties of 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol?
2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol has a molecular weight of 360.12 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanol is sourced from PubChem (CID 14149930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).