(E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid

C8HF13O2 — CID 13433166

IUPAC(E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid
SMILESO=C(O)/C(F)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF13O2/c9-1(3(22)23)2(10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h(H,22,23)/b2-1+
InChIKeyUWPJKAFMMWYWOX-OWOJBTEDSA-N
MW376.07 g/mol
LogP4.33
Rot. Bonds5

About (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid

(E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid (PubChem CID 13433166) has the molecular formula C8HF13O2 and a molecular weight of 376.07 g/mol. Its IUPAC name is (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid.

Molecular Properties

Compound Name(E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid
PubChem CID13433166
Molecular FormulaC8HF13O2
Molecular Weight376.07 g/mol
Exact Mass375.98
IUPAC Name(E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid
SMILESO=C(O)/C(F)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF13O2/c9-1(3(22)23)2(10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h(H,22,23)/b2-1+
InChIKeyUWPJKAFMMWYWOX-OWOJBTEDSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 54.33
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)-6:2 Fluorotelomer unsaturated carboxylic acid
CID 86290106
5:2 Fluorotelomer unsaturated acid
CID 87586550
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
(E)-8:2 FTUCA
CID 11282540
2H-Perfluoro-2-dodecenoic acid
CID 101674537
(2E)-4,4,5,5,6,6,7,7,8,8,8-Undecafluorooct-2-enoic acid
CID 101567675
2H,8H-2,8-PFUDoA
CID 165362410

Frequently Asked Questions

What is the IUPAC name of (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid?
The IUPAC name of (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid (CID 13433166) is (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid.
What is the SMILES notation for (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid?
The canonical SMILES for (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid is O=C(O)/C(F)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid?
The InChIKey is UWPJKAFMMWYWOX-OWOJBTEDSA-N. The full InChI is InChI=1S/C8HF13O2/c9-1(3(22)23)2(10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h(H,22,23)/b2-1+.
What are the key properties of (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid?
(E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid has a molecular weight of 376.07 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid is sourced from PubChem (CID 13433166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).