ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate

C12H14F3NO2 — CID 66804011

IUPACethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)N(CC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-3-16(11(17)18-4-2)10-7-5-6-9(8-10)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyWRJYLEQTRSDROT-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.69
Rot. Bonds3

About ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate

ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 66804011) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID66804011
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nameethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCCOC(=O)N(CC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-3-16(11(17)18-4-2)10-7-5-6-9(8-10)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyWRJYLEQTRSDROT-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 3054397
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
[N-(dimethylcarbamoyl)-3-(trifluoromethyl)anilino]methyl acetate
CID 21499904
propan-2-yl N-(chloromethyl)-N-[3-(trifluoromethyl)phenyl]carbamate
CID 23465054
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5353234
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
ethyl (2R)-2-[4-[ethoxycarbonyl(ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2249283
ethyl 2-[4-[ethoxycarbonyl(ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2829560
3-[N-(2-methoxyacetyl)-3-(trifluoromethyl)anilino]propanoic acid
CID 82321756

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate (CID 66804011) is ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate is CCOC(=O)N(CC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is WRJYLEQTRSDROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-16(11(17)18-4-2)10-7-5-6-9(8-10)12(13,14)15/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 261.24 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 66804011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).