2,2,2-trifluoroethyl N,N-dimethylcarbamate

C5H8F3NO2 — CID 15396532

IUPAC2,2,2-trifluoroethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2)4(10)11-3-5(6,7)8/h3H2,1-2H3
InChIKeyZZDGUXZHFOUZSO-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.25
Rot. Bonds1

About 2,2,2-trifluoroethyl N,N-dimethylcarbamate

2,2,2-trifluoroethyl N,N-dimethylcarbamate (PubChem CID 15396532) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N,N-dimethylcarbamate
PubChem CID15396532
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2,2-trifluoroethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2)4(10)11-3-5(6,7)8/h3H2,1-2H3
InChIKeyZZDGUXZHFOUZSO-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester
CID 10965508
Dimethylcarbamic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CID 85868872
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
2-fluoroethoxyethyl N,N-dimethylcarbamate
CID 129671664
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863
2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
CID 62734680
2,2,2-Trifluoroethyl methoxy(methyl)carbamate
CID 65168309
1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate
CID 87169632
2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169675
2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate
CID 87169703
2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169737

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N,N-dimethylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N,N-dimethylcarbamate (CID 15396532) is 2,2,2-trifluoroethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N,N-dimethylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N,N-dimethylcarbamate is CN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N,N-dimethylcarbamate?
The InChIKey is ZZDGUXZHFOUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9(2)4(10)11-3-5(6,7)8/h3H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N,N-dimethylcarbamate?
2,2,2-trifluoroethyl N,N-dimethylcarbamate has a molecular weight of 171.12 g/mol, XLogP of 1.25, 1 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,N-dimethylcarbamate is sourced from PubChem (CID 15396532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).