methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate

C12H14F3NO2 — CID 134869305

IUPACmethyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCOC(=O)N(C)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-16(11(17)18-2)8-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyLSJISYBAWZMZGW-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.95
Rot. Bonds3

About methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate

methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate (PubChem CID 134869305) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
PubChem CID134869305
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Namemethyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCOC(=O)N(C)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-16(11(17)18-2)8-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyLSJISYBAWZMZGW-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-benzyl-N-(trifluoromethyl)carbamate
CID 162659460
N-Methyl-N-(2-phenylethyl)formamide
CID 238216
methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
CID 115575391
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134792414
methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 134794315
methyl N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 134798370
methyl N-[2-(2-fluorophenyl)ethyl]-N-methylcarbamate
CID 85816807
methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate
CID 115190841
N-(3-phenylpropyl)-N-(trifluoromethyl)carbamoyl fluoride
CID 146167360
Carbamic acid, methyl(phenylmethyl)-, methyl ester
CID 11008509
Ethanamine,2-phenyl, N-methyl-N-trifluoroacetyl-
CID 568991
methyl N-(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamate
CID 10705623

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
The IUPAC name of methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate (CID 134869305) is methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate is COC(=O)N(C)CCc1ccccc1C(F)(F)F.
What is the InChIKey of methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
The InChIKey is LSJISYBAWZMZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-16(11(17)18-2)8-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate has a molecular weight of 261.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 134869305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).