2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate

C10H16F3N3O4 — CID 99792251

IUPAC2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate
SMILESNC(=O)[C@@H]1CN(CCNC(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C10H16F3N3O4/c11-10(12,13)6-20-9(18)15-1-2-16-3-4-19-7(5-16)8(14)17/h7H,1-6H2,(H2,14,17)(H,15,18)/t7-/m0/s1
InChIKeyBBMHPHUTSDDFOO-ZETCQYMHSA-N
MW299.25 g/mol
LogP-0.54
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate

2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate (PubChem CID 99792251) has the molecular formula C10H16F3N3O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate
PubChem CID99792251
Molecular FormulaC10H16F3N3O4
Molecular Weight299.25 g/mol
Exact Mass299.11
IUPAC Name2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate
SMILESNC(=O)[C@@H]1CN(CCNC(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C10H16F3N3O4/c11-10(12,13)6-20-9(18)15-1-2-16-3-4-19-7(5-16)8(14)17/h7H,1-6H2,(H2,14,17)(H,15,18)/t7-/m0/s1
InChIKeyBBMHPHUTSDDFOO-ZETCQYMHSA-N
XLogP-0.54
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate (CID 99792251) is 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate is NC(=O)[C@@H]1CN(CCNC(=O)OCC(F)(F)F)CCO1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate?
The InChIKey is BBMHPHUTSDDFOO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16F3N3O4/c11-10(12,13)6-20-9(18)15-1-2-16-3-4-19-7(5-16)8(14)17/h7H,1-6H2,(H2,14,17)(H,15,18)/t7-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate has a molecular weight of 299.25 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-[(2S)-2-carbamoylmorpholin-4-yl]ethyl]carbamate is sourced from PubChem (CID 99792251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).