(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid

C6H2F8O2 — CID 12626928

IUPAC(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)/C(F)=C/F
InChIInChI=1S/C6H2F8O2/c7-1-2(8)4(9,10)6(13,14)5(11,12)3(15)16/h1H,(H,15,16)/b2-1-
InChIKeyDILPVQJUBDGCEV-UPHRSURJSA-N
MW258.06 g/mol
LogP2.76
Rot. Bonds4

About (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid

(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid (PubChem CID 12626928) has the molecular formula C6H2F8O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid.

Molecular Properties

Compound Name(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid
PubChem CID12626928
Molecular FormulaC6H2F8O2
Molecular Weight258.06 g/mol
Exact Mass257.99
IUPAC Name(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)/C(F)=C/F
InChIInChI=1S/C6H2F8O2/c7-1-2(8)4(9,10)6(13,14)5(11,12)3(15)16/h1H,(H,15,16)/b2-1-
InChIKeyDILPVQJUBDGCEV-UPHRSURJSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.76
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

5,6,6-Trifluorohex-5-enoic acid
CID 10654653
2,2,3,3,4,4,5,6,6-Nonafluorohex-5-enoic acid
CID 420411
2,2-Difluoro-5-hexenoic acid
CID 11535590
2,2,3,3,4,5-Hexafluoro-4-penten-1-oic acid
CID 74038231
Sodium 2,2,3,3,4,4,5,6,6-nonafluorohex-5-enoic acid
CID 54606499
(Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid
CID 12626925
(Z)-2,2,3,3,4,5-hexafluoropent-4-enoic acid
CID 23262816
6,6-difluorohex-5-enoic Acid
CID 11298056
3,3-Difluorohex-5-enoic acid
CID 17803248
3,3,4,5,5-Pentafluoropent-4-enoic acid
CID 19862302
alpha-Heptafluoropropylacrylic acid
CID 21277491
2-(Difluoromethylidene)-4,4,5,5,5-pentafluoropentanoic acid
CID 53375094

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid?
The IUPAC name of (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid (CID 12626928) is (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid.
What is the SMILES notation for (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid?
The canonical SMILES for (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid is O=C(O)C(F)(F)C(F)(F)C(F)(F)/C(F)=C/F.
What is the InChIKey of (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid?
The InChIKey is DILPVQJUBDGCEV-UPHRSURJSA-N. The full InChI is InChI=1S/C6H2F8O2/c7-1-2(8)4(9,10)6(13,14)5(11,12)3(15)16/h1H,(H,15,16)/b2-1-.
What are the key properties of (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid?
(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid has a molecular weight of 258.06 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid is sourced from PubChem (CID 12626928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).