5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid

C10H7F11O2 — CID 87259134

IUPAC5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H7F11O2/c1-4(5(22)23)2-3-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h1-3H2,(H,22,23)
InChIKeyCOBKSULLWJBQGR-UHFFFAOYSA-N
MW368.14 g/mol
LogP4.51
Rot. Bonds6

About 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid

5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid (PubChem CID 87259134) has the molecular formula C10H7F11O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid.

Molecular Properties

Compound Name5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid
PubChem CID87259134
Molecular FormulaC10H7F11O2
Molecular Weight368.14 g/mol
Exact Mass368.03
IUPAC Name5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H7F11O2/c1-4(5(22)23)2-3-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h1-3H2,(H,22,23)
InChIKeyCOBKSULLWJBQGR-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid?
The IUPAC name of 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid (CID 87259134) is 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid.
What is the SMILES notation for 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid?
The canonical SMILES for 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid is C=C(CCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid?
The InChIKey is COBKSULLWJBQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F11O2/c1-4(5(22)23)2-3-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h1-3H2,(H,22,23).
What are the key properties of 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid?
5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid has a molecular weight of 368.14 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,8,8,8-octafluoro-2-methylidene-7-(trifluoromethyl)octanoic acid is sourced from PubChem (CID 87259134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).