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

C6H2ClF7O2 — CID 12626925

IUPAC(Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)/C(F)=C/Cl
InChIInChI=1S/C6H2ClF7O2/c7-1-2(8)4(9,10)6(13,14)5(11,12)3(15)16/h1H,(H,15,16)/b2-1-
InChIKeyXWLDSYLJRKQNDC-UPHRSURJSA-N
MW274.52 g/mol
LogP3.03
Rot. Bonds4

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

(Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid (PubChem CID 12626925) has the molecular formula C6H2ClF7O2 and a molecular weight of 274.52 g/mol. Its IUPAC name is (Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid
PubChem CID12626925
Molecular FormulaC6H2ClF7O2
Molecular Weight274.52 g/mol
Exact Mass273.96
IUPAC Name(Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)/C(F)=C/Cl
InChIInChI=1S/C6H2ClF7O2/c7-1-2(8)4(9,10)6(13,14)5(11,12)3(15)16/h1H,(H,15,16)/b2-1-
InChIKeyXWLDSYLJRKQNDC-UPHRSURJSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 53.03
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)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid?
The IUPAC name of (Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid (CID 12626925) is (Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid.
What is the SMILES notation for (Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid?
The canonical SMILES for (Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid is O=C(O)C(F)(F)C(F)(F)C(F)(F)/C(F)=C/Cl.
What is the InChIKey of (Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid?
The InChIKey is XWLDSYLJRKQNDC-UPHRSURJSA-N. The full InChI is InChI=1S/C6H2ClF7O2/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)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid?
(Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid has a molecular weight of 274.52 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-chloro-2,2,3,3,4,4,5-heptafluorohex-5-enoic acid is sourced from PubChem (CID 12626925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).