2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate

C6H10F3NO2 — CID 62734680

IUPAC2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-10(2)5(11)12-4-6(7,8)9/h3-4H2,1-2H3
InChIKeyDWXYUZWHGKUJKU-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.64
Rot. Bonds2

About 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate

2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate (PubChem CID 62734680) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
PubChem CID62734680
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-10(2)5(11)12-4-6(7,8)9/h3-4H2,1-2H3
InChIKeyDWXYUZWHGKUJKU-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate 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

Ethyl diethylcarbamate
CID 19083
Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester
CID 10965508
Diethylcarbamic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CID 118690318
2-fluoroethyl N,N-diethylcarbamate
CID 88979858
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
Carbamic acid, ethylmethyl-, ethyl ester
CID 20062878
Diethylcarbamic acid 2,2-difluorovinyl ester
CID 10910142
2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
CID 11020115
methyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 14981384
2,2,2-Trifluoroethyl dimethylcarbamate
CID 15396532
ethyl N-(2,2,2-trifluoro-1-methylethyl)-N-methylcarbamate
CID 18439257
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate (CID 62734680) is 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate?
The InChIKey is DWXYUZWHGKUJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3-10(2)5(11)12-4-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate?
2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate has a molecular weight of 185.14 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 62734680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).