1,1,2,2,2-pentafluoroethanol

C2HF5O — CID 2759276

IUPAC1,1,2,2,2-pentafluoroethanol
SMILESOC(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O/c3-1(4,5)2(6,7)8/h8H
InChIKeyNNZZMYIWZFZLHU-UHFFFAOYSA-N
MW136.02 g/mol
LogP1.13
Rot. Bonds

About 1,1,2,2,2-pentafluoroethanol

1,1,2,2,2-pentafluoroethanol (PubChem CID 2759276) has the molecular formula C2HF5O and a molecular weight of 136.02 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanol.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanol
PubChem CID2759276
Molecular FormulaC2HF5O
Molecular Weight136.02 g/mol
Exact Mass135.99
IUPAC Name1,1,2,2,2-pentafluoroethanol
SMILESOC(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O/c3-1(4,5)2(6,7)8/h8H
InChIKeyNNZZMYIWZFZLHU-UHFFFAOYSA-N
XLogP1.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.02
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-pentafluoroethanol?
The IUPAC name of 1,1,2,2,2-pentafluoroethanol (CID 2759276) is 1,1,2,2,2-pentafluoroethanol.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanol?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanol is OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanol?
The InChIKey is NNZZMYIWZFZLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O/c3-1(4,5)2(6,7)8/h8H.
What are the key properties of 1,1,2,2,2-pentafluoroethanol?
1,1,2,2,2-pentafluoroethanol has a molecular weight of 136.02 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethanol is sourced from PubChem (CID 2759276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).