2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide

C10H17F3N2O3 — CID 113450267

IUPAC2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)(N)C(F)(F)F)CCOC1
InChIInChI=1S/C10H17F3N2O3/c1-8(14,10(11,12)13)7(16)15-5-9(17-2)3-4-18-6-9/h3-6,14H2,1-2H3,(H,15,16)
InChIKeyJKEBXKRCXNAGJB-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.19
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 113450267) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID113450267
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)(N)C(F)(F)F)CCOC1
InChIInChI=1S/C10H17F3N2O3/c1-8(14,10(11,12)13)7(16)15-5-9(17-2)3-4-18-6-9/h3-6,14H2,1-2H3,(H,15,16)
InChIKeyJKEBXKRCXNAGJB-UHFFFAOYSA-N
XLogP0.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 113450267) is 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide is COC1(CNC(=O)C(C)(N)C(F)(F)F)CCOC1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is JKEBXKRCXNAGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(14,10(11,12)13)7(16)15-5-9(17-2)3-4-18-6-9/h3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 270.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 113450267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).