1,1,2,2,2-pentafluoroethoxymethanol

C3H3F5O2 — CID 87205882

IUPAC1,1,2,2,2-pentafluoroethoxymethanol
SMILESOCOC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5,6)3(7,8)10-1-9/h9H,1H2
InChIKeyCVUJCIIESUFIIV-UHFFFAOYSA-N
MW166.04 g/mol
LogP1.11
Rot. Bonds2

About 1,1,2,2,2-pentafluoroethoxymethanol

1,1,2,2,2-pentafluoroethoxymethanol (PubChem CID 87205882) has the molecular formula C3H3F5O2 and a molecular weight of 166.04 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethoxymethanol.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethoxymethanol
PubChem CID87205882
Molecular FormulaC3H3F5O2
Molecular Weight166.04 g/mol
Exact Mass166.01
IUPAC Name1,1,2,2,2-pentafluoroethoxymethanol
SMILESOCOC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5,6)3(7,8)10-1-9/h9H,1H2
InChIKeyCVUJCIIESUFIIV-UHFFFAOYSA-N
XLogP1.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethoxymethanol?
The IUPAC name of 1,1,2,2,2-pentafluoroethoxymethanol (CID 87205882) is 1,1,2,2,2-pentafluoroethoxymethanol.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethoxymethanol?
The canonical SMILES for 1,1,2,2,2-pentafluoroethoxymethanol is OCOC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethoxymethanol?
The InChIKey is CVUJCIIESUFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2/c4-2(5,6)3(7,8)10-1-9/h9H,1H2.
What are the key properties of 1,1,2,2,2-pentafluoroethoxymethanol?
1,1,2,2,2-pentafluoroethoxymethanol has a molecular weight of 166.04 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethoxymethanol is sourced from PubChem (CID 87205882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).