2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid

C8H3F11O2 — CID 19895197

IUPAC2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid
SMILESO=C(O)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F11O2/c9-3(1-2(20)21)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1H2,(H,20,21)
InChIKeyPFOSIUUIEUHSCD-UHFFFAOYSA-N
MW340.09 g/mol
LogP3.36
Rot. Bonds2

About 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid

2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid (PubChem CID 19895197) has the molecular formula C8H3F11O2 and a molecular weight of 340.09 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid
PubChem CID19895197
Molecular FormulaC8H3F11O2
Molecular Weight340.09 g/mol
Exact Mass340.00
IUPAC Name2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid
SMILESO=C(O)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F11O2/c9-3(1-2(20)21)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1H2,(H,20,21)
InChIKeyPFOSIUUIEUHSCD-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 53.36
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 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid?
The IUPAC name of 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid (CID 19895197) is 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid is O=C(O)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid?
The InChIKey is PFOSIUUIEUHSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F11O2/c9-3(1-2(20)21)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1H2,(H,20,21).
What are the key properties of 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid?
2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid has a molecular weight of 340.09 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid is sourced from PubChem (CID 19895197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).