dec-1-en-2-yl 2,2,2-trifluoroacetate

C12H19F3O2 — CID 50900896

IUPACdec-1-en-2-yl 2,2,2-trifluoroacetate
SMILESC=C(CCCCCCCC)OC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-10(2)17-11(16)12(13,14)15/h2-9H2,1H3
InChIKeyCLDRYTAJOPTROX-UHFFFAOYSA-N
MW252.28 g/mol
LogP4.36
Rot. Bonds8

About dec-1-en-2-yl 2,2,2-trifluoroacetate

dec-1-en-2-yl 2,2,2-trifluoroacetate (PubChem CID 50900896) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is dec-1-en-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedec-1-en-2-yl 2,2,2-trifluoroacetate
PubChem CID50900896
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Namedec-1-en-2-yl 2,2,2-trifluoroacetate
SMILESC=C(CCCCCCCC)OC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-10(2)17-11(16)12(13,14)15/h2-9H2,1H3
InChIKeyCLDRYTAJOPTROX-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-trifluoroacetyl) decanoate
CID 18429126
(2,2,2-trifluoroacetyl) nonanoate
CID 18429125
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
dodec-1-en-2-yl hydrogen carbonate
CID 87655862
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
tricosyl 2,2,2-trifluoroacetate
CID 14574257
octyl 2,2,2-trifluoroacetate
CID 520219
(2,2,2-trifluoroacetyl) 2-carbamoyloctanoate
CID 174894605
trifluoromethyl 2-methylidenedecanoate
CID 90990908
2-methoxyicos-1-ene
CID 175283491
2,2,2-trifluoroacetic acid;undecanoic acid
CID 159402462
1-tetradecanoyloxyethenyl tetradecanoate
CID 141442366

Frequently Asked Questions

What is the IUPAC name of dec-1-en-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of dec-1-en-2-yl 2,2,2-trifluoroacetate (CID 50900896) is dec-1-en-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for dec-1-en-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for dec-1-en-2-yl 2,2,2-trifluoroacetate is C=C(CCCCCCCC)OC(=O)C(F)(F)F.
What is the InChIKey of dec-1-en-2-yl 2,2,2-trifluoroacetate?
The InChIKey is CLDRYTAJOPTROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-10(2)17-11(16)12(13,14)15/h2-9H2,1H3.
What are the key properties of dec-1-en-2-yl 2,2,2-trifluoroacetate?
dec-1-en-2-yl 2,2,2-trifluoroacetate has a molecular weight of 252.28 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-en-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 50900896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).