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

C15H17F3O3 — CID 11716409

IUPACtert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3O3/c1-14(2,3)21-13(19)20-10-4-5-11-6-8-12(9-7-11)15(16,17)18/h4-9H,10H2,1-3H3/b5-4+
InChIKeyMVWUYASBSGEYNB-SNAWJCMRSA-N
MW302.29 g/mol
LogP4.67
Rot. Bonds3

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

tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate (PubChem CID 11716409) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate
PubChem CID11716409
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Nametert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3O3/c1-14(2,3)21-13(19)20-10-4-5-11-6-8-12(9-7-11)15(16,17)18/h4-9H,10H2,1-3H3/b5-4+
InChIKeyMVWUYASBSGEYNB-SNAWJCMRSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (E)-3-(4-(trifluoromethyl)phenyl)acrylate
CID 11736355
2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester
CID 11507015
2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, methyl ester, (Z)-
CID 53421330
4-(Trifluoromethyl)cinnamic acid tert-butyl ester
CID 11242735
Ethyl (2Z)-3-(4-(trifluoromethyl)phenyl)-2-propenoate
CID 134862459
Cinnamyl ethyl carbonate
CID 5355242
O-Trifluoroacetyl cinnamyl alcohol
CID 5370655
Methyl [4-(trifluoromethyl)phenyl]methyl carbonate
CID 11481704
(2E)-3-(4-fluorophenyl)prop-2-en-1-yl methyl carbonate
CID 16753254
methyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate
CID 24874143
tert-butyl [(E)-3-(4-fluorophenyl)prop-2-enyl] carbonate
CID 46944296
Cinnamyl Methyl Carbonate
CID 10035469

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
The IUPAC name of tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate (CID 11716409) is tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate.
What is the SMILES notation for tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
The canonical SMILES for tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate is CC(C)(C)OC(=O)OC/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
The InChIKey is MVWUYASBSGEYNB-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H17F3O3/c1-14(2,3)21-13(19)20-10-4-5-11-6-8-12(9-7-11)15(16,17)18/h4-9H,10H2,1-3H3/b5-4+.
What are the key properties of tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate?
tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate has a molecular weight of 302.29 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] carbonate is sourced from PubChem (CID 11716409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).