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

C12H11F3O3 — CID 24874143

IUPACmethyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate
SMILESCOC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O3/c1-17-11(16)18-8-2-3-9-4-6-10(7-5-9)12(13,14)15/h2-7H,8H2,1H3/b3-2+
InChIKeyHNLJKKSTNUZVFU-NSCUHMNNSA-N
MW260.21 g/mol
LogP3.50
Rot. Bonds3

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

methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate (PubChem CID 24874143) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate
PubChem CID24874143
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Namemethyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate
SMILESCOC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O3/c1-17-11(16)18-8-2-3-9-4-6-10(7-5-9)12(13,14)15/h2-7H,8H2,1H3/b3-2+
InChIKeyHNLJKKSTNUZVFU-NSCUHMNNSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3-Diethoxy-1-propen-1-yl)benzene
CID 5356250
Cinnamaldehyde dimethyl acetal
CID 5463228
Methyl (E)-3-(4-(trifluoromethyl)phenyl)acrylate
CID 11736355
(3,3-Dimethoxypropen-1-yl)benzene
CID 20378
Ethyl 4,4,4-trifluoro-3-phenylbut-2-enoate
CID 10900854
2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester
CID 11507015
ethyl (2Z)-3-trifluoromethyl-3-phenylprop-2-enoate
CID 12600305
2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, methyl ester, (Z)-
CID 53421330
3,3-Diethoxyprop-1-enylbenzene
CID 91340
4-(Trifluoromethyl)cinnamic acid butyl ester
CID 9943401
Ethyl (2Z)-3-(4-(trifluoromethyl)phenyl)-2-propenoate
CID 134862459
Cinnamyl ethyl carbonate
CID 5355242

Frequently Asked Questions

What is the IUPAC name of methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
The IUPAC name of methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate (CID 24874143) is methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate.
What is the SMILES notation for methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
The canonical SMILES for methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate is COC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
The InChIKey is HNLJKKSTNUZVFU-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H11F3O3/c1-17-11(16)18-8-2-3-9-4-6-10(7-5-9)12(13,14)15/h2-7H,8H2,1H3/b3-2+.
What are the key properties of methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate has a molecular weight of 260.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate is sourced from PubChem (CID 24874143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).