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

C9H15F3N2O2 — CID 167135163

IUPAC(3S)-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-/m0/s1
InChIKeyHJCHIHPKOVITBZ-ZETCQYMHSA-N
MW240.22 g/mol
LogP1.37
Rot. Bonds1

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

(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 167135163) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID167135163
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(3S)-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-/m0/s1
InChIKeyHJCHIHPKOVITBZ-ZETCQYMHSA-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 (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide (CID 167135163) is (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-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 (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is HJCHIHPKOVITBZ-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide?
(3S)-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 (3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 167135163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).