2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate

C8H13F3N2O4 — CID 112683708

IUPAC2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
SMILESCOCCNC(=O)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c1-16-3-2-12-6(14)4-13-7(15)17-5-8(9,10)11/h2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyFBNMNLVMMWUKBV-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.04
Rot. Bonds6

About 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate

2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate (PubChem CID 112683708) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
PubChem CID112683708
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
SMILESCOCCNC(=O)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c1-16-3-2-12-6(14)4-13-7(15)17-5-8(9,10)11/h2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyFBNMNLVMMWUKBV-UHFFFAOYSA-N
XLogP0.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721279
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
CID 104705190
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113344912
N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931967
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate (CID 112683708) is 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate is COCCNC(=O)CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The InChIKey is FBNMNLVMMWUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4/c1-16-3-2-12-6(14)4-13-7(15)17-5-8(9,10)11/h2-5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate has a molecular weight of 258.20 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 112683708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).