[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate

C12H19F3O2 — CID 177488051

IUPAC[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate
SMILESCCCCCCC/C=C(/OC(C)=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-11(12(13,14)15)17-10(2)16/h9H,3-8H2,1-2H3/b11-9+
InChIKeyHLHVHCFPGMBTEL-PKNBQFBNSA-N
MW252.28 g/mol
LogP4.36
Rot. Bonds7

About [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate

[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate (PubChem CID 177488051) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate
PubChem CID177488051
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate
SMILESCCCCCCC/C=C(/OC(C)=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-11(12(13,14)15)17-10(2)16/h9H,3-8H2,1-2H3/b11-9+
InChIKeyHLHVHCFPGMBTEL-PKNBQFBNSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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

[(E)-1,1,1-trifluorododec-2-en-2-yl] acetate
CID 11369498
2-acetyloxydec-2-enoic acid
CID 54342046
2-acetyloxyhexadec-2-enoic acid
CID 161169864
[(3E)-icosa-1,3-dien-3-yl] acetate
CID 142750410
[(E)-2-ethylnon-2-enyl] acetate
CID 88547353
1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
CID 123613644
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
1,1,2,2,2-pentafluoroethyl 2-methylnon-2-enoate
CID 174821254
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methyldec-2-enyl acetate
CID 123999734

Frequently Asked Questions

What is the IUPAC name of [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate?
The IUPAC name of [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate (CID 177488051) is [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate.
What is the SMILES notation for [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate?
The canonical SMILES for [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate is CCCCCCC/C=C(/OC(C)=O)C(F)(F)F.
What is the InChIKey of [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate?
The InChIKey is HLHVHCFPGMBTEL-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-11(12(13,14)15)17-10(2)16/h9H,3-8H2,1-2H3/b11-9+.
What are the key properties of [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate?
[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate has a molecular weight of 252.28 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1,1-trifluorodec-2-en-2-yl] acetate is sourced from PubChem (CID 177488051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).