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

C13H16F3NO2 — CID 134869327

IUPACmethyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCCN(CCc1ccccc1C(F)(F)F)C(=O)OC
InChIInChI=1S/C13H16F3NO2/c1-3-17(12(18)19-2)9-8-10-6-4-5-7-11(10)13(14,15)16/h4-7H,3,8-9H2,1-2H3
InChIKeyGNBCZIFLZQQGNB-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.34
Rot. Bonds4

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

methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate (PubChem CID 134869327) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
PubChem CID134869327
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Namemethyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCCN(CCc1ccccc1C(F)(F)F)C(=O)OC
InChIInChI=1S/C13H16F3NO2/c1-3-17(12(18)19-2)9-8-10-6-4-5-7-11(10)13(14,15)16/h4-7H,3,8-9H2,1-2H3
InChIKeyGNBCZIFLZQQGNB-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
The IUPAC name of methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate (CID 134869327) is methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
The canonical SMILES for methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate is CCN(CCc1ccccc1C(F)(F)F)C(=O)OC.
What is the InChIKey of methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
The InChIKey is GNBCZIFLZQQGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-17(12(18)19-2)9-8-10-6-4-5-7-11(10)13(14,15)16/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate?
methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate has a molecular weight of 275.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 134869327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).