3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide

C11H19F3N2O2 — CID 98799112

IUPAC3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
SMILESC[C@H](CNC(=O)CC(F)(F)F)N1CCOC[C@@H]1C
InChIInChI=1S/C11H19F3N2O2/c1-8(16-3-4-18-7-9(16)2)6-15-10(17)5-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-,9+/m1/s1
InChIKeyDTOLHWKDONQTLF-BDAKNGLRSA-N
MW268.28 g/mol
LogP1.16
Rot. Bonds4

About 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide

3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide (PubChem CID 98799112) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
PubChem CID98799112
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
SMILESC[C@H](CNC(=O)CC(F)(F)F)N1CCOC[C@@H]1C
InChIInChI=1S/C11H19F3N2O2/c1-8(16-3-4-18-7-9(16)2)6-15-10(17)5-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-,9+/m1/s1
InChIKeyDTOLHWKDONQTLF-BDAKNGLRSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-methyl-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]cyclopropane-1-carboxamide
CID 124803825
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
CID 129423990
4-(2,2-difluoroethyl)-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-1,4-diazepane-1-carboxamide
CID 124734013
3-(4-ethoxyphenyl)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 95326565
(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 97322384
methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711913
1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111840579
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111838575
2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide
CID 96528871
2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64797261
6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine
CID 167924985

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide (CID 98799112) is 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide is C[C@H](CNC(=O)CC(F)(F)F)N1CCOC[C@@H]1C.
What is the InChIKey of 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide?
The InChIKey is DTOLHWKDONQTLF-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(16-3-4-18-7-9(16)2)6-15-10(17)5-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-,9+/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide?
3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide is sourced from PubChem (CID 98799112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).