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Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

C11H12F3NO2 — CID 134794315

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCOC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-15(10(16)17-2)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyPWXKQEXQPBOHPA-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.90
Rot. Bonds2

About Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 134794315) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound NameMethyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID134794315
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Namemethyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCOC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-15(10(16)17-2)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyPWXKQEXQPBOHPA-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 134794315) is methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is COC(=O)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is PWXKQEXQPBOHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-15(10(16)17-2)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,7H2,1-2H3.
What are the key properties of Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 247.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 134794315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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