2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate

C8H15F3N2O2 — CID 60858888

IUPAC2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
SMILESCC(CNC(=O)OCC(F)(F)F)N(C)C
InChIInChI=1S/C8H15F3N2O2/c1-6(13(2)3)4-12-7(14)15-5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyJRIRHXPWPGBMAQ-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.23
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate

2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate (PubChem CID 60858888) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
PubChem CID60858888
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
SMILESCC(CNC(=O)OCC(F)(F)F)N(C)C
InChIInChI=1S/C8H15F3N2O2/c1-6(13(2)3)4-12-7(14)15-5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyJRIRHXPWPGBMAQ-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate
CID 65168600
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
CID 103465110
2,2,2-trifluoroethyl N-[3-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]carbamate
CID 95581913
2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 62734847
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate (CID 60858888) is 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate is CC(CNC(=O)OCC(F)(F)F)N(C)C.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate?
The InChIKey is JRIRHXPWPGBMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-6(13(2)3)4-12-7(14)15-5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate?
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate has a molecular weight of 228.21 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 60858888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).