2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate

C12H14F3NO2 — CID 39871502

IUPAC2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)OCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H14F3NO2/c1-7-4-8(2)10(9(3)5-7)16-11(17)18-6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyBAXPBBVKZUIZRF-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.72
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate

2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate (PubChem CID 39871502) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate
PubChem CID39871502
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)OCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H14F3NO2/c1-7-4-8(2)10(9(3)5-7)16-11(17)18-6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyBAXPBBVKZUIZRF-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 104621854
2,2,2-trifluoroethyl N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]carbamate
CID 54592538
2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
CID 65173902
2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate
CID 65173317
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
2,2,2-trifluoroethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 52908165
propyl N-(2-chloro-4,6-dimethylphenyl)carbamate
CID 19174388
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 26080663
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate (CID 39871502) is 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate is Cc1cc(C)c(NC(=O)OCC(F)(F)F)c(C)c1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate?
The InChIKey is BAXPBBVKZUIZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7-4-8(2)10(9(3)5-7)16-11(17)18-6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate?
2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate has a molecular weight of 261.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate is sourced from PubChem (CID 39871502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).