(Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid

C5H2F6O2 — CID 23116756

IUPAC(Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid
SMILESO=C(O)/C=C(\F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c6-2(1-3(12)13)4(7,8)5(9,10)11/h1H,(H,12,13)/b2-1-
InChIKeyZJJJWFMRGDMLHL-UPHRSURJSA-N
MW208.06 g/mol
LogP2.12
Rot. Bonds2

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

(Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid (PubChem CID 23116756) has the molecular formula C5H2F6O2 and a molecular weight of 208.06 g/mol. Its IUPAC name is (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid
PubChem CID23116756
Molecular FormulaC5H2F6O2
Molecular Weight208.06 g/mol
Exact Mass208.00
IUPAC Name(Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid
SMILESO=C(O)/C=C(\F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c6-2(1-3(12)13)4(7,8)5(9,10)11/h1H,(H,12,13)/b2-1-
InChIKeyZJJJWFMRGDMLHL-UPHRSURJSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Hexadecafluorodec-2-enoic acid
CID 71404795
3-(Perfluoropentyl)-3-fluoro-2-propenoic acid
CID 85976247
2H-Perfluoro-2-dodecenoate
CID 138396354
(Z)-8:2 Fluorotelomer unsaturated carboxylic acid
CID 11733192
(Z)-3,4,4,4-Tetrafluoro-2-butenoic acid
CID 23116759
(Z)-6:2 Fluorotelomer unsaturated carboxylic acid
CID 86290106
5:2 Fluorotelomer unsaturated acid
CID 87586550
(Z)-3,4,4,5,5,6,6,6-Octafluoro-2-hexenoic acid
CID 87587204
3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid
CID 2775067
(2E)-3,4,4,5,5,6,6,7,7,8,8,8-Dodecafluoro-2-octenoic acid
CID 129411141
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-enoic acid
CID 5708519
(E)-8:2 FTUCA
CID 11282540

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid?
The IUPAC name of (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid (CID 23116756) is (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid.
What is the SMILES notation for (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid?
The canonical SMILES for (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid is O=C(O)/C=C(\F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid?
The InChIKey is ZJJJWFMRGDMLHL-UPHRSURJSA-N. The full InChI is InChI=1S/C5H2F6O2/c6-2(1-3(12)13)4(7,8)5(9,10)11/h1H,(H,12,13)/b2-1-.
What are the key properties of (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid?
(Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid has a molecular weight of 208.06 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,4,5,5,5-hexafluoropent-2-enoic acid is sourced from PubChem (CID 23116756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).