2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate

C10H17F3N2O3 — CID 65168605

IUPAC2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate
SMILESCC(CN1CCOCC1)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(6-15-2-4-17-5-3-15)14-9(16)18-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyBYAVBTQHSJTWBG-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.00
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate

2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate (PubChem CID 65168605) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate
PubChem CID65168605
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate
SMILESCC(CN1CCOCC1)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(6-15-2-4-17-5-3-15)14-9(16)18-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyBYAVBTQHSJTWBG-UHFFFAOYSA-N
XLogP1.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.00
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-(1-morpholin-4-ylpropan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate (CID 65168605) is 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate is CC(CN1CCOCC1)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate?
The InChIKey is BYAVBTQHSJTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(6-15-2-4-17-5-3-15)14-9(16)18-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate?
2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate has a molecular weight of 270.25 g/mol, XLogP of 1.00, 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-(1-morpholin-4-ylpropan-2-yl)carbamate is sourced from PubChem (CID 65168605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).