tetradecyl 2,2,2-trifluoroacetate

C16H29F3O2 — CID 522034

IUPACtetradecyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C16H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3
InChIKeyUVIFJLAXCAKUFR-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.79
Rot. Bonds13

About tetradecyl 2,2,2-trifluoroacetate

tetradecyl 2,2,2-trifluoroacetate (PubChem CID 522034) has the molecular formula C16H29F3O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tetradecyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametetradecyl 2,2,2-trifluoroacetate
PubChem CID522034
Molecular FormulaC16H29F3O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Nametetradecyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C16H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3
InChIKeyUVIFJLAXCAKUFR-UHFFFAOYSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetradecyl 2,2,2-trifluoroacetate?
The IUPAC name of tetradecyl 2,2,2-trifluoroacetate (CID 522034) is tetradecyl 2,2,2-trifluoroacetate.
What is the SMILES notation for tetradecyl 2,2,2-trifluoroacetate?
The canonical SMILES for tetradecyl 2,2,2-trifluoroacetate is CCCCCCCCCCCCCCOC(=O)C(F)(F)F.
What is the InChIKey of tetradecyl 2,2,2-trifluoroacetate?
The InChIKey is UVIFJLAXCAKUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3.
What are the key properties of tetradecyl 2,2,2-trifluoroacetate?
tetradecyl 2,2,2-trifluoroacetate has a molecular weight of 310.40 g/mol, XLogP of 5.79, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 522034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).