3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide

C10H17F3N2O2 — CID 51080945

IUPAC3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCC(CN1CCOCC1)NC(=O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-8(7-15-2-4-17-5-3-15)14-9(16)6-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyUJOKUCQCNAWKME-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.78
Rot. Bonds4

About 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide

3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide (PubChem CID 51080945) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide
PubChem CID51080945
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCC(CN1CCOCC1)NC(=O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-8(7-15-2-4-17-5-3-15)14-9(16)6-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyUJOKUCQCNAWKME-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide (CID 51080945) is 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide is CC(CN1CCOCC1)NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is UJOKUCQCNAWKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-8(7-15-2-4-17-5-3-15)14-9(16)6-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.78, 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-(1-morpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 51080945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).