2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate

C10H15F3N2O4 — CID 112686337

IUPAC2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate
SMILESO=C(NCCC(=O)N1CCOCC1)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)7-19-9(17)14-2-1-8(16)15-3-5-18-6-4-15/h1-7H2,(H,14,17)
InChIKeyZBBVWVPVFLRZGS-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.52
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate

2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate (PubChem CID 112686337) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate
PubChem CID112686337
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate
SMILESO=C(NCCC(=O)N1CCOCC1)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)7-19-9(17)14-2-1-8(16)15-3-5-18-6-4-15/h1-7H2,(H,14,17)
InChIKeyZBBVWVPVFLRZGS-UHFFFAOYSA-N
XLogP0.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.52
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-(3-morpholin-4-yl-3-oxopropyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate (CID 112686337) is 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate is O=C(NCCC(=O)N1CCOCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate?
The InChIKey is ZBBVWVPVFLRZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)7-19-9(17)14-2-1-8(16)15-3-5-18-6-4-15/h1-7H2,(H,14,17).
What are the key properties of 2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate?
2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate has a molecular weight of 284.23 g/mol, XLogP of 0.52, 4 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-(3-morpholin-4-yl-3-oxopropyl)carbamate is sourced from PubChem (CID 112686337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).