5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid

C10H7F11O2 — CID 18702703

IUPAC5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H7F11O2/c1-4(5(22)23)2-3-6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h1-3H2,(H,22,23)
InChIKeyOYYDVVFEGDOMQM-UHFFFAOYSA-N
MW368.14 g/mol
LogP4.51
Rot. Bonds7

About 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid

5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid (PubChem CID 18702703) has the molecular formula C10H7F11O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid
PubChem CID18702703
Molecular FormulaC10H7F11O2
Molecular Weight368.14 g/mol
Exact Mass368.03
IUPAC Name5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid
SMILESC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H7F11O2/c1-4(5(22)23)2-3-6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h1-3H2,(H,22,23)
InChIKeyOYYDVVFEGDOMQM-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

2-decyl acrylic Acid
CID 5282682
2-(Perfluoro-3-methylbutyl) ethyl acrylic acid
CID 87259134
2-(4,4-Difluorocyclohexyl)prop-2-enoicacid
CID 165842557
2-Methylidenetetradecanoic acid
CID 173898
2-Methylideneundecanoic acid
CID 10442732
2-Methylideneoctanoic acid
CID 12731439
Decene-2-carboxylic acid
CID 12731440
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methylidenedecanoic acid
CID 10128141
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-methylideneundecanoic acid
CID 10311353
2-(Difluoromethylidene)heptanoic acid
CID 10845039
5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Hexadecafluoro-2-methylidene-11-(trifluoromethyl)dodecanoic acid
CID 13548437
3,3,4,4,5,5,6,6,6-Nonafluoro-2-methylidenehexanoic acid
CID 13913117

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid (CID 18702703) is 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid is C=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid?
The InChIKey is OYYDVVFEGDOMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F11O2/c1-4(5(22)23)2-3-6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h1-3H2,(H,22,23).
What are the key properties of 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid?
5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid has a molecular weight of 368.14 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-2-methylidenenonanoic acid is sourced from PubChem (CID 18702703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).