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

C9H15F3N2O3 — CID 106101458

IUPAC2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-7(13,9(10,11)12)6(15)14-4-8(16)2-3-17-5-8/h16H,2-5,13H2,1H3,(H,14,15)
InChIKeyLDYVAGKIWFJOAX-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.47
Rot. Bonds3

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

2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 106101458) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID106101458
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-7(13,9(10,11)12)6(15)14-4-8(16)2-3-17-5-8/h16H,2-5,13H2,1H3,(H,14,15)
InChIKeyLDYVAGKIWFJOAX-UHFFFAOYSA-N
XLogP-0.47
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
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-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 106101458) is 2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is CC(N)(C(=O)NCC1(O)CCOC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is LDYVAGKIWFJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-7(13,9(10,11)12)6(15)14-4-8(16)2-3-17-5-8/h16H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 256.22 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 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-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 106101458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).