ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

C12H14F3NO2 — CID 60636161

IUPACethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCCOC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-3-18-11(17)16(2)8-9-4-6-10(7-5-9)12(13,14)15/h4-7H,3,8H2,1-2H3
InChIKeyQLUNBORLHKCISG-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.29
Rot. Bonds3

About ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 60636161) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID60636161
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nameethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCCOC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-3-18-11(17)16(2)8-9-4-6-10(7-5-9)12(13,14)15/h4-7H,3,8H2,1-2H3
InChIKeyQLUNBORLHKCISG-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
CID 65173330
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
ethyl 4-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]butanoate
CID 111299575

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (CID 60636161) is ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is CCOC(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is QLUNBORLHKCISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-18-11(17)16(2)8-9-4-6-10(7-5-9)12(13,14)15/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 261.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 60636161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).