tetradecanoic acid;2,2,2-trifluoroacetic acid

C16H29F3O4 — CID 88756721

IUPACtetradecanoic acid;2,2,2-trifluoroacetic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C14H28O2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;3-2(4,5)1(6)7/h2-13H2,1H3,(H,15,16);(H,6,7)
InChIKeyDZOAKHKNLDCJQU-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.41
Rot. Bonds12

About tetradecanoic acid;2,2,2-trifluoroacetic acid

tetradecanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 88756721) has the molecular formula C16H29F3O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is tetradecanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametetradecanoic acid;2,2,2-trifluoroacetic acid
PubChem CID88756721
Molecular FormulaC16H29F3O4
Molecular Weight342.40 g/mol
Exact Mass342.20
IUPAC Nametetradecanoic acid;2,2,2-trifluoroacetic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C14H28O2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;3-2(4,5)1(6)7/h2-13H2,1H3,(H,15,16);(H,6,7)
InChIKeyDZOAKHKNLDCJQU-UHFFFAOYSA-N
XLogP5.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.41
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

2,2,2-trifluoroacetic acid;undecanoic acid
CID 159402462
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;tetracontanoic acid
CID 175935348
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
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of tetradecanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of tetradecanoic acid;2,2,2-trifluoroacetic acid (CID 88756721) is tetradecanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tetradecanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for tetradecanoic acid;2,2,2-trifluoroacetic acid is CCCCCCCCCCCCCC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of tetradecanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is DZOAKHKNLDCJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;3-2(4,5)1(6)7/h2-13H2,1H3,(H,15,16);(H,6,7).
What are the key properties of tetradecanoic acid;2,2,2-trifluoroacetic acid?
tetradecanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 342.40 g/mol, XLogP of 5.41, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 88756721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).