methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate

C5H8F3NO2 — CID 14981384

IUPACmethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(4(10)11-2)3-5(6,7)8/h3H2,1-2H3
InChIKeyBLBROMRZRKVBKM-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.25
Rot. Bonds1

About methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate

methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 14981384) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID14981384
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Namemethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(4(10)11-2)3-5(6,7)8/h3H2,1-2H3
InChIKeyBLBROMRZRKVBKM-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (CID 14981384) is methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is COC(=O)N(C)CC(F)(F)F.
What is the InChIKey of methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is BLBROMRZRKVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9(4(10)11-2)3-5(6,7)8/h3H2,1-2H3.
What are the key properties of methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 171.12 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 14981384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).