tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate

C8H12F3NO3 — CID 129451512

IUPACtert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-7(2,3)15-6(14)12-4-5(13)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyLZMVAXDJRXUUFY-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate

tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate (PubChem CID 129451512) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
PubChem CID129451512
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Nametert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-7(2,3)15-6(14)12-4-5(13)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyLZMVAXDJRXUUFY-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
CID 105462603
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(4,4,4-trifluoro-3-oxobutylidene)azanium
CID 7020972
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate (CID 129451512) is tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate is CC(C)(C)OC(=O)NCC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate?
The InChIKey is LZMVAXDJRXUUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-7(2,3)15-6(14)12-4-5(13)8(9,10)11/h4H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate?
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate has a molecular weight of 227.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate is sourced from PubChem (CID 129451512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).