4,4,5,5,5-pentafluoropentane-1,3-diol

C5H7F5O2 — CID 14242145

IUPAC4,4,5,5,5-pentafluoropentane-1,3-diol
SMILESOCCC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O2/c6-4(7,5(8,9)10)3(12)1-2-11/h3,11-12H,1-2H2
InChIKeyGSTOYUHRSSWEIF-UHFFFAOYSA-N
MW194.10 g/mol
LogP0.93
Rot. Bonds3

About 4,4,5,5,5-pentafluoropentane-1,3-diol

4,4,5,5,5-pentafluoropentane-1,3-diol (PubChem CID 14242145) has the molecular formula C5H7F5O2 and a molecular weight of 194.10 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropentane-1,3-diol.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropentane-1,3-diol
PubChem CID14242145
Molecular FormulaC5H7F5O2
Molecular Weight194.10 g/mol
Exact Mass194.04
IUPAC Name4,4,5,5,5-pentafluoropentane-1,3-diol
SMILESOCCC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O2/c6-4(7,5(8,9)10)3(12)1-2-11/h3,11-12H,1-2H2
InChIKeyGSTOYUHRSSWEIF-UHFFFAOYSA-N
XLogP0.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4,4,5,5,5-pentafluoropentane-1,3-diol?
The IUPAC name of 4,4,5,5,5-pentafluoropentane-1,3-diol (CID 14242145) is 4,4,5,5,5-pentafluoropentane-1,3-diol.
What is the SMILES notation for 4,4,5,5,5-pentafluoropentane-1,3-diol?
The canonical SMILES for 4,4,5,5,5-pentafluoropentane-1,3-diol is OCCC(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropentane-1,3-diol?
The InChIKey is GSTOYUHRSSWEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O2/c6-4(7,5(8,9)10)3(12)1-2-11/h3,11-12H,1-2H2.
What are the key properties of 4,4,5,5,5-pentafluoropentane-1,3-diol?
4,4,5,5,5-pentafluoropentane-1,3-diol has a molecular weight of 194.10 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropentane-1,3-diol is sourced from PubChem (CID 14242145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).