2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O3 — CID 113480867

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1COCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(9(16)15-6-10(11,12)13)14-4-8-5-17-2-3-18-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyXIMBWPUKACIMPN-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.06
Rot. Bonds5

About 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113480867) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113480867
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1COCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(9(16)15-6-10(11,12)13)14-4-8-5-17-2-3-18-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyXIMBWPUKACIMPN-UHFFFAOYSA-N
XLogP0.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 113480867) is 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1COCCO1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XIMBWPUKACIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-7(9(16)15-6-10(11,12)13)14-4-8-5-17-2-3-18-8/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 270.25 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113480867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).