2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O3 — CID 113231950

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1(CO)CCOCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)6-14-8(17)5-15-9(7-16)1-3-18-4-2-9/h15-16H,1-7H2,(H,14,17)
InChIKeyOXZQSFDBPXUYBX-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.20
Rot. Bonds5

About 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113231950) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113231950
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1(CO)CCOCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)6-14-8(17)5-15-9(7-16)1-3-18-4-2-9/h15-16H,1-7H2,(H,14,17)
InChIKeyOXZQSFDBPXUYBX-UHFFFAOYSA-N
XLogP-0.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 113231950) is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1(CO)CCOCC1)NCC(F)(F)F.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OXZQSFDBPXUYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)6-14-8(17)5-15-9(7-16)1-3-18-4-2-9/h15-16H,1-7H2,(H,14,17).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.25 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113231950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).