(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide

C9H15F3N2O2 — CID 167135216

IUPAC(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-6(2)13-8(15)14-3-4-16-5-7(14)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyHJCHIHPKOVITBZ-SSDOTTSWSA-N
MW240.22 g/mol
LogP1.37
Rot. Bonds1

About (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide

(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 167135216) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID167135216
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-6(2)13-8(15)14-3-4-16-5-7(14)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyHJCHIHPKOVITBZ-SSDOTTSWSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide (CID 167135216) is (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide is CC(C)NC(=O)N1CCOC[C@@H]1C(F)(F)F.
What is the InChIKey of (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is HJCHIHPKOVITBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6(2)13-8(15)14-3-4-16-5-7(14)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t7-/m1/s1.
What are the key properties of (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 167135216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).