2,2,3,3,4-pentafluoropent-4-enoic acid

C5H3F5O2 — CID 134463386

IUPAC2,2,3,3,4-pentafluoropent-4-enoic acid
SMILESC=C(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C5H3F5O2/c1-2(6)4(7,8)5(9,10)3(11)12/h1H2,(H,11,12)
InChIKeyLOIANEJNZOFCJP-UHFFFAOYSA-N
MW190.07 g/mol
LogP1.82
Rot. Bonds3

About 2,2,3,3,4-pentafluoropent-4-enoic acid

2,2,3,3,4-pentafluoropent-4-enoic acid (PubChem CID 134463386) has the molecular formula C5H3F5O2 and a molecular weight of 190.07 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluoropent-4-enoic acid.

Molecular Properties

Compound Name2,2,3,3,4-pentafluoropent-4-enoic acid
PubChem CID134463386
Molecular FormulaC5H3F5O2
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Name2,2,3,3,4-pentafluoropent-4-enoic acid
SMILESC=C(F)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C5H3F5O2/c1-2(6)4(7,8)5(9,10)3(11)12/h1H2,(H,11,12)
InChIKeyLOIANEJNZOFCJP-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 51.82
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

2,2-Difluoro-4-pentenoic acid
CID 11954656
4,5,5-trifluoropent-4-enoic Acid
CID 2782447
4-Fluoropent-4-enoic acid
CID 10558605
5,5-Difluoro-4-pentenoic acid
CID 13551221
Xjnoajyyjlowhi-uhfffaoysa-
CID 23263204
2,2,3,3,4,5-Hexafluoro-4-penten-1-oic acid
CID 74038231
(Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid
CID 12626924
(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid
CID 12626928
(Z)-2,2,3,3,4,5-hexafluoropent-4-enoic acid
CID 23262816
(Z)-2,2,3,4-tetrafluorobut-3-enoic acid
CID 133628828
3,3,4,5,5-Pentafluoropent-4-enoic acid
CID 19862302
2,2,3,3-Tetrafluoropent-4-enoic acid
CID 21323012

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentafluoropent-4-enoic acid?
The IUPAC name of 2,2,3,3,4-pentafluoropent-4-enoic acid (CID 134463386) is 2,2,3,3,4-pentafluoropent-4-enoic acid.
What is the SMILES notation for 2,2,3,3,4-pentafluoropent-4-enoic acid?
The canonical SMILES for 2,2,3,3,4-pentafluoropent-4-enoic acid is C=C(F)C(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,3,4-pentafluoropent-4-enoic acid?
The InChIKey is LOIANEJNZOFCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O2/c1-2(6)4(7,8)5(9,10)3(11)12/h1H2,(H,11,12).
What are the key properties of 2,2,3,3,4-pentafluoropent-4-enoic acid?
2,2,3,3,4-pentafluoropent-4-enoic acid has a molecular weight of 190.07 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluoropent-4-enoic acid is sourced from PubChem (CID 134463386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).