[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate

C12H11F3O2 — CID 91998712

IUPAC[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O2/c1-9(16)17-8-2-3-10-4-6-11(7-5-10)12(13,14)15/h2-7H,8H2,1H3/b3-2+
InChIKeyFXXCOAJVLAMFHH-NSCUHMNNSA-N
MW244.21 g/mol
LogP3.28
Rot. Bonds3

About [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate

[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate (PubChem CID 91998712) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
PubChem CID91998712
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O2/c1-9(16)17-8-2-3-10-4-6-11(7-5-10)12(13,14)15/h2-7H,8H2,1H3/b3-2+
InChIKeyFXXCOAJVLAMFHH-NSCUHMNNSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
ethane;[(E)-3-[4-(methylamino)phenyl]prop-2-enyl] acetate
CID 143755056
[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
CID 118260411
[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enyl] acetate
CID 10611366
[(Z)-4-acetyloxy-3-[4-(trifluoromethyl)phenyl]but-2-enyl] acetate
CID 11255538
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
methyl (E)-2,2-bis(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pent-4-enoate
CID 102104830
diethyl 2-prop-2-ynyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]propanedioate
CID 11315053
ethyl (E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enoate
CID 46217691
diethyl 2-[(E)-4-acetyloxybut-2-enyl]-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]propanedioate
CID 102474500
[(E)-but-2-enyl] 4-(trifluoromethyl)benzoate
CID 78830809

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate?
The IUPAC name of [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate (CID 91998712) is [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate is CC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate?
The InChIKey is FXXCOAJVLAMFHH-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-9(16)17-8-2-3-10-4-6-11(7-5-10)12(13,14)15/h2-7H,8H2,1H3/b3-2+.
What are the key properties of [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate?
[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate has a molecular weight of 244.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate is sourced from PubChem (CID 91998712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).