2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate

C12H15F3N2O2 — CID 65173791

IUPAC2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate
SMILESCN(CCNC(=O)OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O2/c1-17(10-5-3-2-4-6-10)8-7-16-11(18)19-9-12(13,14)15/h2-6H,7-9H2,1H3,(H,16,18)
InChIKeyLSEVPDHDZXQVFV-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.41
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate

2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate (PubChem CID 65173791) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate
PubChem CID65173791
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate
SMILESCN(CCNC(=O)OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O2/c1-17(10-5-3-2-4-6-10)8-7-16-11(18)19-9-12(13,14)15/h2-6H,7-9H2,1H3,(H,16,18)
InChIKeyLSEVPDHDZXQVFV-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate (CID 65173791) is 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate is CN(CCNC(=O)OCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate?
The InChIKey is LSEVPDHDZXQVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-17(10-5-3-2-4-6-10)8-7-16-11(18)19-9-12(13,14)15/h2-6H,7-9H2,1H3,(H,16,18).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate has a molecular weight of 276.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate is sourced from PubChem (CID 65173791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).