(Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid

C5H2ClF5O2 — CID 12626924

IUPAC(Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)/C(F)=C/Cl
InChIInChI=1S/C5H2ClF5O2/c6-1-2(7)4(8,9)5(10,11)3(12)13/h1H,(H,12,13)/b2-1-
InChIKeyVVMMFOBAGFALDI-UPHRSURJSA-N
MW224.51 g/mol
LogP2.39
Rot. Bonds3

About (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid

(Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid (PubChem CID 12626924) has the molecular formula C5H2ClF5O2 and a molecular weight of 224.51 g/mol. Its IUPAC name is (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid.

Molecular Properties

Compound Name(Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid
PubChem CID12626924
Molecular FormulaC5H2ClF5O2
Molecular Weight224.51 g/mol
Exact Mass223.97
IUPAC Name(Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)/C(F)=C/Cl
InChIInChI=1S/C5H2ClF5O2/c6-1-2(7)4(8,9)5(10,11)3(12)13/h1H,(H,12,13)/b2-1-
InChIKeyVVMMFOBAGFALDI-UPHRSURJSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid?
The IUPAC name of (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid (CID 12626924) is (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid.
What is the SMILES notation for (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid?
The canonical SMILES for (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid is O=C(O)C(F)(F)C(F)(F)/C(F)=C/Cl.
What is the InChIKey of (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid?
The InChIKey is VVMMFOBAGFALDI-UPHRSURJSA-N. The full InChI is InChI=1S/C5H2ClF5O2/c6-1-2(7)4(8,9)5(10,11)3(12)13/h1H,(H,12,13)/b2-1-.
What are the key properties of (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid?
(Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid has a molecular weight of 224.51 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-2,2,3,3,4-pentafluoropent-4-enoic acid is sourced from PubChem (CID 12626924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).