4,5,5-trifluoropent-4-enoic acid

C5H5F3O2 — CID 2782447

IUPAC4,5,5-trifluoropent-4-enoic acid
SMILESO=C(O)CCC(F)=C(F)F
InChIInChI=1S/C5H5F3O2/c6-3(5(7)8)1-2-4(9)10/h1-2H2,(H,9,10)
InChIKeyYWHZHTHRRXAUFQ-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.93
Rot. Bonds3

About 4,5,5-trifluoropent-4-enoic acid

4,5,5-trifluoropent-4-enoic acid (PubChem CID 2782447) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 4,5,5-trifluoropent-4-enoic acid.

Molecular Properties

Compound Name4,5,5-trifluoropent-4-enoic acid
PubChem CID2782447
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name4,5,5-trifluoropent-4-enoic acid
SMILESO=C(O)CCC(F)=C(F)F
InChIInChI=1S/C5H5F3O2/c6-3(5(7)8)1-2-4(9)10/h1-2H2,(H,9,10)
InChIKeyYWHZHTHRRXAUFQ-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoropent-4-enoic acid?
The IUPAC name of 4,5,5-trifluoropent-4-enoic acid (CID 2782447) is 4,5,5-trifluoropent-4-enoic acid.
What is the SMILES notation for 4,5,5-trifluoropent-4-enoic acid?
The canonical SMILES for 4,5,5-trifluoropent-4-enoic acid is O=C(O)CCC(F)=C(F)F.
What is the InChIKey of 4,5,5-trifluoropent-4-enoic acid?
The InChIKey is YWHZHTHRRXAUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c6-3(5(7)8)1-2-4(9)10/h1-2H2,(H,9,10).
What are the key properties of 4,5,5-trifluoropent-4-enoic acid?
4,5,5-trifluoropent-4-enoic acid has a molecular weight of 154.09 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoropent-4-enoic acid is sourced from PubChem (CID 2782447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).