2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate

C8H14F3NO3 — CID 61382655

IUPAC2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate
SMILESCCN(CCOC)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-3-12(4-5-14-2)7(13)15-6-8(9,10)11/h3-6H2,1-2H3
InChIKeyOJFDXIFTPXDONO-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.65
Rot. Bonds5

About 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate

2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate (PubChem CID 61382655) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate
PubChem CID61382655
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate
SMILESCCN(CCOC)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-3-12(4-5-14-2)7(13)15-6-8(9,10)11/h3-6H2,1-2H3
InChIKeyOJFDXIFTPXDONO-UHFFFAOYSA-N
XLogP1.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.65
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
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
Acetamide, N-methyl-N-(2-methoxyethyl)trifluoro-
CID 62728049
Acetamide, N-ethyl-N-(2-ethoxyethyl)trifluoro-
CID 63719353
2-(N-Ethyl-2,2,2-trifluoroacetamido)ethyl 2,2,2-trifluoroacetate
CID 91721561
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 61068007
N-ethyl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 62728771
2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
CID 62734680
1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169607
2-fluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169653

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate (CID 61382655) is 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate is CCN(CCOC)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate?
The InChIKey is OJFDXIFTPXDONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-3-12(4-5-14-2)7(13)15-6-8(9,10)11/h3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate?
2,2,2-trifluoroethyl N-ethyl-N-(2-methoxyethyl)carbamate has a molecular weight of 229.20 g/mol, XLogP of 1.65, 5 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-ethyl-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 61382655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).