4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid

C5H5F5O3 — CID 118209497

IUPAC4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O3/c6-4(7,5(8,9)10)2(11)1-3(12)13/h2,11H,1H2,(H,12,13)
InChIKeyZYPIPHPPKPCWMR-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.02
Rot. Bonds3

About 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid

4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid (PubChem CID 118209497) has the molecular formula C5H5F5O3 and a molecular weight of 208.08 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
PubChem CID118209497
Molecular FormulaC5H5F5O3
Molecular Weight208.08 g/mol
Exact Mass208.02
IUPAC Name4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O3/c6-4(7,5(8,9)10)2(11)1-3(12)13/h2,11H,1H2,(H,12,13)
InChIKeyZYPIPHPPKPCWMR-UHFFFAOYSA-N
XLogP1.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
CID 135081165
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
CID 53255086
3,4,4,5,5,6,6,7,7,7-decafluoroheptanoic acid
CID 163324510
3,4,4,4-tetrafluorobutanoic acid
CID 83856312
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
CID 139595127
carbon dioxide;4,4-difluoro-3-hydroxy-5-oxohexanoic acid
CID 160955856
(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol
CID 129368619
4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
CID 2782190
1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol
CID 172713124
calcium;hydride;2,2,3-trihydroxypentanedioic acid
CID 174353561
3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
CID 10575809
(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one
CID 177455114

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid?
The IUPAC name of 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid (CID 118209497) is 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid?
The canonical SMILES for 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid is O=C(O)CC(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid?
The InChIKey is ZYPIPHPPKPCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O3/c6-4(7,5(8,9)10)2(11)1-3(12)13/h2,11H,1H2,(H,12,13).
What are the key properties of 4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid?
4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid has a molecular weight of 208.08 g/mol, XLogP of 1.02, 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-pentafluoro-3-hydroxypentanoic acid is sourced from PubChem (CID 118209497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).