(3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide

C13H22F2N2O3 — CID 129347020

IUPAC(3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)[C@@H]1COCCN1CC(F)F
InChIInChI=1S/C13H22F2N2O3/c14-12(15)8-17-4-6-19-9-11(17)13(18)16-7-10-3-1-2-5-20-10/h10-12H,1-9H2,(H,16,18)/t10-,11+/m1/s1
InChIKeyUYTPRKLTXPYEMU-MNOVXSKESA-N
MW292.33 g/mol
LogP0.64
Rot. Bonds5

About (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide

(3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 129347020) has the molecular formula C13H22F2N2O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide
PubChem CID129347020
Molecular FormulaC13H22F2N2O3
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name(3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)[C@@H]1COCCN1CC(F)F
InChIInChI=1S/C13H22F2N2O3/c14-12(15)8-17-4-6-19-9-11(17)13(18)16-7-10-3-1-2-5-20-10/h10-12H,1-9H2,(H,16,18)/t10-,11+/m1/s1
InChIKeyUYTPRKLTXPYEMU-MNOVXSKESA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide (CID 129347020) is (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide is O=C(NC[C@H]1CCCCO1)[C@@H]1COCCN1CC(F)F.
What is the InChIKey of (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is UYTPRKLTXPYEMU-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22F2N2O3/c14-12(15)8-17-4-6-19-9-11(17)13(18)16-7-10-3-1-2-5-20-10/h10-12H,1-9H2,(H,16,18)/t10-,11+/m1/s1.
What are the key properties of (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide?
(3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2,2-difluoroethyl)-N-[[(2R)-oxan-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 129347020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).