3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid

C5H4F4O3 — CID 163324821

IUPAC3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid
SMILESO=C(O)C(O)C(F)=C(F)C(F)F
InChIInChI=1S/C5H4F4O3/c6-1(2(7)4(8)9)3(10)5(11)12/h3-4,10H,(H,11,12)
InChIKeyZEMXXTOEWPJUBP-UHFFFAOYSA-N
MW188.08 g/mol
LogP0.85
Rot. Bonds3

About 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid

3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid (PubChem CID 163324821) has the molecular formula C5H4F4O3 and a molecular weight of 188.08 g/mol. Its IUPAC name is 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid.

Molecular Properties

Compound Name3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid
PubChem CID163324821
Molecular FormulaC5H4F4O3
Molecular Weight188.08 g/mol
Exact Mass188.01
IUPAC Name3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid
SMILESO=C(O)C(O)C(F)=C(F)C(F)F
InChIInChI=1S/C5H4F4O3/c6-1(2(7)4(8)9)3(10)5(11)12/h3-4,10H,(H,11,12)
InChIKeyZEMXXTOEWPJUBP-UHFFFAOYSA-N
XLogP0.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid?
The IUPAC name of 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid (CID 163324821) is 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid.
What is the SMILES notation for 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid?
The canonical SMILES for 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid is O=C(O)C(O)C(F)=C(F)C(F)F.
What is the InChIKey of 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid?
The InChIKey is ZEMXXTOEWPJUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O3/c6-1(2(7)4(8)9)3(10)5(11)12/h3-4,10H,(H,11,12).
What are the key properties of 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid?
3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid has a molecular weight of 188.08 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid is sourced from PubChem (CID 163324821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).