2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid

C8H2F10O2 — CID 134918566

IUPAC2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid
SMILESO=C(O)C=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F10O2/c9-4(10)2(1-3(19)20)5(11,12)7(15,16)8(17,18)6(4,13)14/h1H,(H,19,20)
InChIKeyNUGFLPMXBXPBHK-UHFFFAOYSA-N
MW320.08 g/mol
LogP3.19
Rot. Bonds1

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

2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid (PubChem CID 134918566) has the molecular formula C8H2F10O2 and a molecular weight of 320.08 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid
PubChem CID134918566
Molecular FormulaC8H2F10O2
Molecular Weight320.08 g/mol
Exact Mass319.99
IUPAC Name2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid
SMILESO=C(O)C=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F10O2/c9-4(10)2(1-3(19)20)5(11,12)7(15,16)8(17,18)6(4,13)14/h1H,(H,19,20)
InChIKeyNUGFLPMXBXPBHK-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 53.19
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 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid (CID 134918566) is 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid is O=C(O)C=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid?
The InChIKey is NUGFLPMXBXPBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F10O2/c9-4(10)2(1-3(19)20)5(11,12)7(15,16)8(17,18)6(4,13)14/h1H,(H,19,20).
What are the key properties of 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid?
2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid has a molecular weight of 320.08 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexylidene)acetic acid is sourced from PubChem (CID 134918566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).