tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate

C14H15F3O3 — CID 122223212

IUPACtert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate
SMILESCC(C)(C)OC(=O)OC(C(F)=C(F)F)c1ccccc1
InChIInChI=1S/C14H15F3O3/c1-14(2,3)20-13(18)19-11(10(15)12(16)17)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyYSEJBFCJSBPBBU-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate

tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate (PubChem CID 122223212) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate.

Molecular Properties

Compound Nametert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate
PubChem CID122223212
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Nametert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate
SMILESCC(C)(C)OC(=O)OC(C(F)=C(F)F)c1ccccc1
InChIInChI=1S/C14H15F3O3/c1-14(2,3)20-13(18)19-11(10(15)12(16)17)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyYSEJBFCJSBPBBU-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
CID 11323789
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
tert-butyl [(1R,5R)-3-methylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1,5-diphenylpentyl] carbonate
CID 10695604
1-O-benzhydryl 3-O-tert-butyl propanedioate
CID 71746700
tert-butyl 2-[(2-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
CID 135077028
2-hydroxy-4-[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethoxy]-4-oxobutanoic acid
CID 122670721
tert-butyl 2-benzhydryloxypropanoate
CID 19020212
(2-methylpropan-2-yl)oxycarbonyl (3S)-3-amino-3-phenylpropanoate
CID 174500905
bis(2,2-dimethyl-1-phenylpropyl) carbonate
CID 139502993
[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-phenylpropanoyl]amino] methanesulfonate
CID 10545321
tert-butyl [1-(2-methoxyphenyl)-2-methylidene-3-oxobutyl] carbonate
CID 53382208

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate?
The IUPAC name of tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate (CID 122223212) is tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate.
What is the SMILES notation for tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate?
The canonical SMILES for tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate is CC(C)(C)OC(=O)OC(C(F)=C(F)F)c1ccccc1.
What is the InChIKey of tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate?
The InChIKey is YSEJBFCJSBPBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c1-14(2,3)20-13(18)19-11(10(15)12(16)17)9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate?
tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate has a molecular weight of 288.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate is sourced from PubChem (CID 122223212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).