2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate

C11H12F3NO2 — CID 65173330

IUPAC2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(7-9-5-3-2-4-6-9)10(16)17-8-11(12,13)14/h2-6H,7-8H2,1H3
InChIKeyJGLPBENCWCGPKN-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.82
Rot. Bonds3

About 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate

2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate (PubChem CID 65173330) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
PubChem CID65173330
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(7-9-5-3-2-4-6-9)10(16)17-8-11(12,13)14/h2-6H,7-8H2,1H3
InChIKeyJGLPBENCWCGPKN-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-[(3-cyanophenyl)methyl]-N-methylcarbamate
CID 65168992
fluoro N-benzyl-N-methylcarbamate
CID 144758254
2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175012156
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
CID 90893510
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]benzoic acid
CID 61170982
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
2,2,2-trifluoroethyl N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamate
CID 60705959
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate (CID 65173330) is 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate?
The InChIKey is JGLPBENCWCGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-15(7-9-5-3-2-4-6-9)10(16)17-8-11(12,13)14/h2-6H,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate?
2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate has a molecular weight of 247.22 g/mol, XLogP of 2.82, 3 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-benzyl-N-methylcarbamate is sourced from PubChem (CID 65173330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).