2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C10H17F3N2O3 — CID 120789402

IUPAC2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESNC(C(=O)NCC(O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7(16)5-15-9(17)8(14)6-1-3-18-4-2-6/h6-8,16H,1-5,14H2,(H,15,17)
InChIKeyDYOAVGYEIOSCCY-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.22
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 120789402) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID120789402
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESNC(C(=O)NCC(O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7(16)5-15-9(17)8(14)6-1-3-18-4-2-6/h6-8,16H,1-5,14H2,(H,15,17)
InChIKeyDYOAVGYEIOSCCY-UHFFFAOYSA-N
XLogP-0.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 120789402) is 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is NC(C(=O)NCC(O)C(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is DYOAVGYEIOSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)7(16)5-15-9(17)8(14)6-1-3-18-4-2-6/h6-8,16H,1-5,14H2,(H,15,17).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 270.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 120789402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).