2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate

C13H23F3N2O3 — CID 65168544

IUPAC2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
SMILESCC(C)CC(CNC(=O)OCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H23F3N2O3/c1-10(2)7-11(18-3-5-20-6-4-18)8-17-12(19)21-9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeyNRNJSNLBELOKJX-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.02
Rot. Bonds6

About 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate

2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate (PubChem CID 65168544) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
PubChem CID65168544
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
SMILESCC(C)CC(CNC(=O)OCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H23F3N2O3/c1-10(2)7-11(18-3-5-20-6-4-18)8-17-12(19)21-9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeyNRNJSNLBELOKJX-UHFFFAOYSA-N
XLogP2.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate (CID 65168544) is 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate is CC(C)CC(CNC(=O)OCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
The InChIKey is NRNJSNLBELOKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-10(2)7-11(18-3-5-20-6-4-18)8-17-12(19)21-9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate has a molecular weight of 312.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate is sourced from PubChem (CID 65168544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).