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

C11H19F3N2O3 — CID 103864979

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
SMILESO=C(CN(CCO)CC(F)(F)F)NC1CCOCC1
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-16(3-4-17)7-10(18)15-9-1-5-19-6-2-9/h9,17H,1-8H2,(H,15,18)
InChIKeyPKVMMXDWHAVHKF-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.14
Rot. Bonds6

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

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 103864979) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID103864979
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
SMILESO=C(CN(CCO)CC(F)(F)F)NC1CCOCC1
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-16(3-4-17)7-10(18)15-9-1-5-19-6-2-9/h9,17H,1-8H2,(H,15,18)
InChIKeyPKVMMXDWHAVHKF-UHFFFAOYSA-N
XLogP0.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide (CID 103864979) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide is O=C(CN(CCO)CC(F)(F)F)NC1CCOCC1.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is PKVMMXDWHAVHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c12-11(13,14)8-16(3-4-17)7-10(18)15-9-1-5-19-6-2-9/h9,17H,1-8H2,(H,15,18).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 284.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 103864979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).