[(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate

C11H9F3O2 — CID 5370655

IUPAC[(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate
SMILESO=C(OC/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKeyUTCZANJRXCJUGL-QPJJXVBHSA-N
MW230.19 g/mol
LogP2.81
Rot. Bonds3

About [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate

[(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate (PubChem CID 5370655) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate
PubChem CID5370655
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name[(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate
SMILESO=C(OC/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKeyUTCZANJRXCJUGL-QPJJXVBHSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnamyl Acetate
CID 5282110
Methyl Cinnamate
CID 637520
Ethyl Cinnamate
CID 637758
Cinnamyl isobutyrate
CID 5355851
Desmethoxyyangonin
CID 5273621
Isoamyl Cinnamate
CID 5273467
Allyl Cinnamate
CID 641423
Isobutyl Cinnamate
CID 778574
Cinnamyl cinnamate
CID 1550890
Goniothalamin
CID 6440856
Cinnamyl propionate
CID 5355850
Propyl Cinnamate
CID 5270647

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate (CID 5370655) is [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate is O=C(OC/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate?
The InChIKey is UTCZANJRXCJUGL-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate?
[(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate has a molecular weight of 230.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 5370655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).