2,2,4,4,6,6,8,8-octafluorooctanoic acid

C8H8F8O2 — CID 139595757

IUPAC2,2,4,4,6,6,8,8-octafluorooctanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C8H8F8O2/c9-4(10)1-6(11,12)2-7(13,14)3-8(15,16)5(17)18/h4H,1-3H2,(H,17,18)
InChIKeyKJEZYIAMIUWVSQ-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.41
Rot. Bonds7

About 2,2,4,4,6,6,8,8-octafluorooctanoic acid

2,2,4,4,6,6,8,8-octafluorooctanoic acid (PubChem CID 139595757) has the molecular formula C8H8F8O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octafluorooctanoic acid.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octafluorooctanoic acid
PubChem CID139595757
Molecular FormulaC8H8F8O2
Molecular Weight288.13 g/mol
Exact Mass288.04
IUPAC Name2,2,4,4,6,6,8,8-octafluorooctanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C8H8F8O2/c9-4(10)1-6(11,12)2-7(13,14)3-8(15,16)5(17)18/h4H,1-3H2,(H,17,18)
InChIKeyKJEZYIAMIUWVSQ-UHFFFAOYSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8-octafluorooctanoic acid?
The IUPAC name of 2,2,4,4,6,6,8,8-octafluorooctanoic acid (CID 139595757) is 2,2,4,4,6,6,8,8-octafluorooctanoic acid.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octafluorooctanoic acid?
The canonical SMILES for 2,2,4,4,6,6,8,8-octafluorooctanoic acid is O=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)F.
What is the InChIKey of 2,2,4,4,6,6,8,8-octafluorooctanoic acid?
The InChIKey is KJEZYIAMIUWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O2/c9-4(10)1-6(11,12)2-7(13,14)3-8(15,16)5(17)18/h4H,1-3H2,(H,17,18).
What are the key properties of 2,2,4,4,6,6,8,8-octafluorooctanoic acid?
2,2,4,4,6,6,8,8-octafluorooctanoic acid has a molecular weight of 288.13 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octafluorooctanoic acid is sourced from PubChem (CID 139595757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).