tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate

C10H14F6O3 — CID 20823621

IUPACtert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate
SMILESCCC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O3/c1-5-8(9(11,12)13,10(14,15)16)19-6(17)18-7(2,3)4/h5H2,1-4H3
InChIKeyNPRYXTMCERSORV-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.21
Rot. Bonds2

About tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate

tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate (PubChem CID 20823621) has the molecular formula C10H14F6O3 and a molecular weight of 296.21 g/mol. Its IUPAC name is tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate
PubChem CID20823621
Molecular FormulaC10H14F6O3
Molecular Weight296.21 g/mol
Exact Mass296.08
IUPAC Nametert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate
SMILESCCC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O3/c1-5-8(9(11,12)13,10(14,15)16)19-6(17)18-7(2,3)4/h5H2,1-4H3
InChIKeyNPRYXTMCERSORV-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
CID 23520708
Tert-butyl (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) carbonate
CID 23520711
Tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] carbonate
CID 57673556
Tert-butyl [1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl] carbonate
CID 58820905
2,2,3-Trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane
CID 58820910
Tert-butyl 1,1,3,3,3-pentafluoroprop-1-en-2-yl carbonate
CID 58841637
Tert-butyl (1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl) carbonate
CID 58895533
[2-(Difluoromethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] methyl carbonate
CID 59927320
Bis(1-fluoro-2-methylpropan-2-yl) carbonate
CID 87147063
Bis[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate
CID 87493443
Bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) carbonate
CID 87495023
Bis(1,1,1,2,2,3-hexafluoropentan-3-yl) carbonate
CID 88216481

Frequently Asked Questions

What is the IUPAC name of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate?
The IUPAC name of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate (CID 20823621) is tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate.
What is the SMILES notation for tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate?
The canonical SMILES for tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate is CCC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate?
The InChIKey is NPRYXTMCERSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O3/c1-5-8(9(11,12)13,10(14,15)16)19-6(17)18-7(2,3)4/h5H2,1-4H3.
What are the key properties of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate?
tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate has a molecular weight of 296.21 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] carbonate is sourced from PubChem (CID 20823621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).