2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate

C7H12F3NO3 — CID 50989295

IUPAC2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate
SMILESCOCC(C)NC(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(3-13-2)11-6(12)14-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyQLVBBWUJIHKRAX-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.31
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate

2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate (PubChem CID 50989295) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate
PubChem CID50989295
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate
SMILESCOCC(C)NC(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(3-13-2)11-6(12)14-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyQLVBBWUJIHKRAX-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate (CID 50989295) is 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate is COCC(C)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate?
The InChIKey is QLVBBWUJIHKRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-5(3-13-2)11-6(12)14-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate?
2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate has a molecular weight of 215.17 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate is sourced from PubChem (CID 50989295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).