2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate

C10H17F3N2O3 — CID 65173475

IUPAC2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCCN(CC)C(=O)CN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-15(5-2)8(16)6-14(3)9(17)18-7-10(11,12)13/h4-7H2,1-3H3
InChIKeyDMLFDWJLJHJLNV-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.49
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate

2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 65173475) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
PubChem CID65173475
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCCN(CC)C(=O)CN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-15(5-2)8(16)6-14(3)9(17)18-7-10(11,12)13/h4-7H2,1-3H3
InChIKeyDMLFDWJLJHJLNV-UHFFFAOYSA-N
XLogP1.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate
CID 81073715
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 65169047
2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
CID 78983348
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
2,2,2-trifluoroethyl N-methyl-N-(3-methylbutyl)carbamate
CID 61066672
2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
CID 112698304
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
2,2,2-trifluoroethyl N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamate
CID 60705959
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980
N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721266

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate (CID 65173475) is 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate is CCN(CC)C(=O)CN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is DMLFDWJLJHJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-15(5-2)8(16)6-14(3)9(17)18-7-10(11,12)13/h4-7H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 270.25 g/mol, XLogP of 1.49, 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-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 65173475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).