1,1,1,5,5-pentafluoropentane-2,4-diol

C5H7F5O2 — CID 5231718

IUPAC1,1,1,5,5-pentafluoropentane-2,4-diol
SMILESOC(CC(O)C(F)(F)F)C(F)F
InChIInChI=1S/C5H7F5O2/c6-4(7)2(11)1-3(12)5(8,9)10/h2-4,11-12H,1H2
InChIKeyIICYJOVGQILKCV-UHFFFAOYSA-N
MW194.10 g/mol
LogP0.93
Rot. Bonds3

About 1,1,1,5,5-pentafluoropentane-2,4-diol

1,1,1,5,5-pentafluoropentane-2,4-diol (PubChem CID 5231718) has the molecular formula C5H7F5O2 and a molecular weight of 194.10 g/mol. Its IUPAC name is 1,1,1,5,5-pentafluoropentane-2,4-diol.

Molecular Properties

Compound Name1,1,1,5,5-pentafluoropentane-2,4-diol
PubChem CID5231718
Molecular FormulaC5H7F5O2
Molecular Weight194.10 g/mol
Exact Mass194.04
IUPAC Name1,1,1,5,5-pentafluoropentane-2,4-diol
SMILESOC(CC(O)C(F)(F)F)C(F)F
InChIInChI=1S/C5H7F5O2/c6-4(7)2(11)1-3(12)5(8,9)10/h2-4,11-12H,1H2
InChIKeyIICYJOVGQILKCV-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

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Related Compounds

3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
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4,4,4-Trifluoro-1,3-butanediol
CID 5231717
(-)-1-Perfluoropropylethanol
CID 6993807
(2S)-3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 7202612
4,4,5,5,5-Pentafluoropentane-1,3-diol
CID 14242145
(3R)-4,4,4-Trifluoro-1,3-butanediol
CID 2779068
1,3-Butanediol, 4,4,4-trifluoro-, (S)-
CID 10307869
1,1,1,2,2-Pentafluoropentan-3-ol
CID 220635
1,1,1,4,4,4-Hexafluorobutan-2-ol
CID 12583897
1,1,1,4,4,5,5,5-Octafluoropentane-2,3-diol
CID 17763138
(2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol
CID 130624158

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5-pentafluoropentane-2,4-diol?
The IUPAC name of 1,1,1,5,5-pentafluoropentane-2,4-diol (CID 5231718) is 1,1,1,5,5-pentafluoropentane-2,4-diol.
What is the SMILES notation for 1,1,1,5,5-pentafluoropentane-2,4-diol?
The canonical SMILES for 1,1,1,5,5-pentafluoropentane-2,4-diol is OC(CC(O)C(F)(F)F)C(F)F.
What is the InChIKey of 1,1,1,5,5-pentafluoropentane-2,4-diol?
The InChIKey is IICYJOVGQILKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O2/c6-4(7)2(11)1-3(12)5(8,9)10/h2-4,11-12H,1H2.
What are the key properties of 1,1,1,5,5-pentafluoropentane-2,4-diol?
1,1,1,5,5-pentafluoropentane-2,4-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 1,1,1,5,5-pentafluoropentane-2,4-diol is sourced from PubChem (CID 5231718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).