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

C6H10F3NO2 — CID 89147753

IUPAC(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-5(2,6(7,8)9)12-4(11)10-3/h1-3H3,(H,10,11)
InChIKeyZLLDAHZPRVCAJJ-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.68
Rot. Bonds1

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

(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate (PubChem CID 89147753) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
PubChem CID89147753
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-5(2,6(7,8)9)12-4(11)10-3/h1-3H3,(H,10,11)
InChIKeyZLLDAHZPRVCAJJ-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.68
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-methylcarbamate?
The IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate (CID 89147753) is (1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate.
What is the SMILES notation for (1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate?
The canonical SMILES for (1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate is CNC(=O)OC(C)(C)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate?
The InChIKey is ZLLDAHZPRVCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-5(2,6(7,8)9)12-4(11)10-3/h1-3H3,(H,10,11).
What are the key properties of (1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate?
(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate has a molecular weight of 185.14 g/mol, XLogP of 1.68, 1 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-methylcarbamate is sourced from PubChem (CID 89147753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).