[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate

C12H19F3O2 — CID 91691240

IUPAC[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate
SMILESCCCCC/C=C\CCCOC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h6-7H,2-5,8-10H2,1H3/b7-6-
InChIKeyUNYWGTHZVNPRQG-SREVYHEPSA-N
MW252.28 g/mol
LogP4.01
Rot. Bonds8

About [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate

[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate (PubChem CID 91691240) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate
PubChem CID91691240
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate
SMILESCCCCC/C=C\CCCOC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h6-7H,2-5,8-10H2,1H3/b7-6-
InChIKeyUNYWGTHZVNPRQG-SREVYHEPSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetracosyl 2,2,2-trifluoroacetate
CID 91692950
[(3E,6E)-5-oxoheptadeca-3,6-dienyl] 2,2,2-trifluoroacetate
CID 153327415
[(E)-hex-4-enyl] 2,2,2-trifluoroacetate
CID 91694359
sodium;dodecyl 2,2,2-trifluoroacetate;hydride
CID 175457015
[(Z)-tetradec-9-enyl] 2,2-difluoropropanoate
CID 141495452
bis[(E)-octadec-9-enyl] carbonate
CID 22342299
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
hexadec-8-enyl acetate
CID 538136
octadec-8-enyl acetate
CID 538134
6-O-[(E)-dec-4-enyl] 1-O-dodecyl hexanedioate
CID 91715844

Frequently Asked Questions

What is the IUPAC name of [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate (CID 91691240) is [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate is CCCCC/C=C\CCCOC(=O)C(F)(F)F.
What is the InChIKey of [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate?
The InChIKey is UNYWGTHZVNPRQG-SREVYHEPSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h6-7H,2-5,8-10H2,1H3/b7-6-.
What are the key properties of [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate?
[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate has a molecular weight of 252.28 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dec-4-enyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 91691240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).