(1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate

C7H12F3NO2 — CID 89382192

IUPAC(1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate
SMILESCCNC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4-11-5(12)13-6(2,3)7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKeyNVSCTOYIRJGPST-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.07
Rot. Bonds2

About (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate

(1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate (PubChem CID 89382192) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate
PubChem CID89382192
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate
SMILESCCNC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4-11-5(12)13-6(2,3)7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKeyNVSCTOYIRJGPST-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate?
The IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate (CID 89382192) is (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate.
What is the SMILES notation for (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate?
The canonical SMILES for (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate is CCNC(=O)OC(C)(C)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate?
The InChIKey is NVSCTOYIRJGPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4-11-5(12)13-6(2,3)7(8,9)10/h4H2,1-3H3,(H,11,12).
What are the key properties of (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate?
(1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate has a molecular weight of 199.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate is sourced from PubChem (CID 89382192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).