3,3,4,4-tetrafluorobutanoic acid

C4H4F4O2 — CID 29005286

IUPAC3,3,4,4-tetrafluorobutanoic acid
SMILESO=C(O)CC(F)(F)C(F)F
InChIInChI=1S/C4H4F4O2/c5-3(6)4(7,8)1-2(9)10/h3H,1H2,(H,9,10)
InChIKeyBOIWPRFABCZBDD-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.36
Rot. Bonds3

About 3,3,4,4-tetrafluorobutanoic acid

3,3,4,4-tetrafluorobutanoic acid (PubChem CID 29005286) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is 3,3,4,4-tetrafluorobutanoic acid.

Molecular Properties

Compound Name3,3,4,4-tetrafluorobutanoic acid
PubChem CID29005286
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Name3,3,4,4-tetrafluorobutanoic acid
SMILESO=C(O)CC(F)(F)C(F)F
InChIInChI=1S/C4H4F4O2/c5-3(6)4(7,8)1-2(9)10/h3H,1H2,(H,9,10)
InChIKeyBOIWPRFABCZBDD-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3,3-difluoropentanedioic acid
CID 21120526
methyl 3,3,4,4-tetrafluorobutanoate
CID 131228830
3-methyl-3-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294878
2,2,3,3-tetrafluoropropan-1-ol;hydrate
CID 141297576
2,2,3,3-tetrafluoropropan-1-ol;2,2,2-trifluoroethanol
CID 160575602
4-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294940
2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid
CID 106290553
2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
CID 119135540
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
CID 139080677
3,3,4,4-tetrafluoro-4-hydroxybutanoic acid
CID 174998564
3,3,4,4,5-pentafluoroheptanoic acid
CID 87292371
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluorobutanoic acid?
The IUPAC name of 3,3,4,4-tetrafluorobutanoic acid (CID 29005286) is 3,3,4,4-tetrafluorobutanoic acid.
What is the SMILES notation for 3,3,4,4-tetrafluorobutanoic acid?
The canonical SMILES for 3,3,4,4-tetrafluorobutanoic acid is O=C(O)CC(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4-tetrafluorobutanoic acid?
The InChIKey is BOIWPRFABCZBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c5-3(6)4(7,8)1-2(9)10/h3H,1H2,(H,9,10).
What are the key properties of 3,3,4,4-tetrafluorobutanoic acid?
3,3,4,4-tetrafluorobutanoic acid has a molecular weight of 160.07 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluorobutanoic acid is sourced from PubChem (CID 29005286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).