trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate

C9H15F3N2O3 — CID 123720044

IUPACtrifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate
SMILESCCN(CC1COCCN1)C(=O)OC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-2-14(8(15)17-9(10,11)12)5-7-6-16-4-3-13-7/h7,13H,2-6H2,1H3
InChIKeyBOXAOVQBSUWPQB-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.95
Rot. Bonds3

About trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate

trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate (PubChem CID 123720044) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametrifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate
PubChem CID123720044
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Nametrifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate
SMILESCCN(CC1COCCN1)C(=O)OC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-2-14(8(15)17-9(10,11)12)5-7-6-16-4-3-13-7/h7,13H,2-6H2,1H3
InChIKeyBOXAOVQBSUWPQB-UHFFFAOYSA-N
XLogP0.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate?
The IUPAC name of trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate (CID 123720044) is trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate.
What is the SMILES notation for trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate?
The canonical SMILES for trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate is CCN(CC1COCCN1)C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate?
The InChIKey is BOXAOVQBSUWPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-2-14(8(15)17-9(10,11)12)5-7-6-16-4-3-13-7/h7,13H,2-6H2,1H3.
What are the key properties of trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate?
trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate has a molecular weight of 256.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate is sourced from PubChem (CID 123720044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).