2,2,2-trifluoroacetic acid;undecanoic acid

C13H23F3O4 — CID 159402462

IUPAC2,2,2-trifluoroacetic acid;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22O2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;3-2(4,5)1(6)7/h2-10H2,1H3,(H,12,13);(H,6,7)
InChIKeyLNNCEAQOJZUVIT-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.24
Rot. Bonds9

About 2,2,2-trifluoroacetic acid;undecanoic acid

2,2,2-trifluoroacetic acid;undecanoic acid (PubChem CID 159402462) has the molecular formula C13H23F3O4 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;undecanoic acid.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;undecanoic acid
PubChem CID159402462
Molecular FormulaC13H23F3O4
Molecular Weight300.32 g/mol
Exact Mass300.15
IUPAC Name2,2,2-trifluoroacetic acid;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22O2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;3-2(4,5)1(6)7/h2-10H2,1H3,(H,12,13);(H,6,7)
InChIKeyLNNCEAQOJZUVIT-UHFFFAOYSA-N
XLogP4.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tetradecanoic acid;2,2,2-trifluoroacetic acid
CID 88756721
pentanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 159071922
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;undecanoic acid?
The IUPAC name of 2,2,2-trifluoroacetic acid;undecanoic acid (CID 159402462) is 2,2,2-trifluoroacetic acid;undecanoic acid.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;undecanoic acid?
The canonical SMILES for 2,2,2-trifluoroacetic acid;undecanoic acid is CCCCCCCCCCC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;undecanoic acid?
The InChIKey is LNNCEAQOJZUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;3-2(4,5)1(6)7/h2-10H2,1H3,(H,12,13);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;undecanoic acid?
2,2,2-trifluoroacetic acid;undecanoic acid has a molecular weight of 300.32 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;undecanoic acid is sourced from PubChem (CID 159402462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).