2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate

C7H12F3NO3 — CID 61068007

IUPAC2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-11(3-4-13-2)6(12)14-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyIPQCMZBDEHUJAT-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.26
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate

2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate (PubChem CID 61068007) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
PubChem CID61068007
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-11(3-4-13-2)6(12)14-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyIPQCMZBDEHUJAT-UHFFFAOYSA-N
XLogP1.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester
CID 10965508
2,2,2-Trifluoroethyl morpholine-4-carboxylate
CID 16227146
methyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169869
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
Acetamide, N-methyl-N-(2-methoxyethyl)trifluoro-
CID 62728049
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
4,4-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11506462
4,5-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11535571
3-(Trifluoromethyl)-1,3-oxazolidin-2-one
CID 12548143
ethyl N-(2,2,2-trifluoro-1-methylethyl)-N-methylcarbamate
CID 18439257
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863
2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate
CID 61382655

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate (CID 61068007) is 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate is COCCN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate?
The InChIKey is IPQCMZBDEHUJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-11(3-4-13-2)6(12)14-5-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate?
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate has a molecular weight of 215.17 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate is sourced from PubChem (CID 61068007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).