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

C9H15F3N2O3 — CID 60976911

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1COCCO1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-14-8(15)4-13-3-7-5-16-1-2-17-7/h7,13H,1-6H2,(H,14,15)
InChIKeyIFIBBTOTWRVSQZ-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.33
Rot. Bonds5

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

2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60976911) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60976911
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1COCCO1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-14-8(15)4-13-3-7-5-16-1-2-17-7/h7,13H,1-6H2,(H,14,15)
InChIKeyIFIBBTOTWRVSQZ-UHFFFAOYSA-N
XLogP-0.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.33
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)acetamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60976911) is 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1COCCO1)NCC(F)(F)F.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IFIBBTOTWRVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)6-14-8(15)4-13-3-7-5-16-1-2-17-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,4-dioxan-2-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.22 g/mol, XLogP of -0.33, 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)acetamide is sourced from PubChem (CID 60976911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).