3,3,4,4-tetrafluoro-4-hydroxybutanoic acid

C4H4F4O3 — CID 174998564

IUPAC3,3,4,4-tetrafluoro-4-hydroxybutanoic acid
SMILESO=C(O)CC(F)(F)C(O)(F)F
InChIInChI=1S/C4H4F4O3/c5-3(6,1-2(9)10)4(7,8)11/h11H,1H2,(H,9,10)
InChIKeyIBPREYHVIJOCLP-UHFFFAOYSA-N
MW176.06 g/mol
LogP0.68
Rot. Bonds3

About 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid

3,3,4,4-tetrafluoro-4-hydroxybutanoic acid (PubChem CID 174998564) has the molecular formula C4H4F4O3 and a molecular weight of 176.06 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-4-hydroxybutanoic acid
PubChem CID174998564
Molecular FormulaC4H4F4O3
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name3,3,4,4-tetrafluoro-4-hydroxybutanoic acid
SMILESO=C(O)CC(F)(F)C(O)(F)F
InChIInChI=1S/C4H4F4O3/c5-3(6,1-2(9)10)4(7,8)11/h11H,1H2,(H,9,10)
InChIKeyIBPREYHVIJOCLP-UHFFFAOYSA-N
XLogP0.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 50.68
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

3,3,4,5,5,5-hexafluoro-4-methylpentanoic acid
CID 170638924
4-chloro-3,3,4,4-tetrafluorobutanoic acid
CID 15544179
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
CID 139080677
5-bromo-3,3,4,4,5,5-hexafluoropentanoic acid
CID 57367966
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid
CID 11783764
3,3,4,4,5-pentafluoroheptanoic acid
CID 87292371
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pentanoic acid
CID 13147761
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
CID 173004565
CID 173004565
CID 24997986
CID 24997986
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid?
The IUPAC name of 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid (CID 174998564) is 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid.
What is the SMILES notation for 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid?
The canonical SMILES for 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid is O=C(O)CC(F)(F)C(O)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid?
The InChIKey is IBPREYHVIJOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O3/c5-3(6,1-2(9)10)4(7,8)11/h11H,1H2,(H,9,10).
What are the key properties of 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid?
3,3,4,4-tetrafluoro-4-hydroxybutanoic acid has a molecular weight of 176.06 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-4-hydroxybutanoic acid is sourced from PubChem (CID 174998564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).