[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate

C9H16F3NO3 — CID 175571914

IUPAC[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate
SMILESC[C@@H](COC(F)(F)F)OC(=O)NC(C)(C)C
InChIInChI=1S/C9H16F3NO3/c1-6(5-15-9(10,11)12)16-7(14)13-8(2,3)4/h6H,5H2,1-4H3,(H,13,14)/t6-/m0/s1
InChIKeyAKAWYLYDXHMDIB-LURJTMIESA-N
MW243.22 g/mol
LogP2.44
Rot. Bonds3

About [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate

[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate (PubChem CID 175571914) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate
PubChem CID175571914
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate
SMILESC[C@@H](COC(F)(F)F)OC(=O)NC(C)(C)C
InChIInChI=1S/C9H16F3NO3/c1-6(5-15-9(10,11)12)16-7(14)13-8(2,3)4/h6H,5H2,1-4H3,(H,13,14)/t6-/m0/s1
InChIKeyAKAWYLYDXHMDIB-LURJTMIESA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate (CID 175571914) is [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate is C[C@@H](COC(F)(F)F)OC(=O)NC(C)(C)C.
What is the InChIKey of [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate?
The InChIKey is AKAWYLYDXHMDIB-LURJTMIESA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-6(5-15-9(10,11)12)16-7(14)13-8(2,3)4/h6H,5H2,1-4H3,(H,13,14)/t6-/m0/s1.
What are the key properties of [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate?
[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate has a molecular weight of 243.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175571914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).