2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide

C9H17F3N2O3 — CID 106161081

IUPAC2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide
SMILESCOCC(CCO)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-8(13,9(10,11)12)7(16)14-6(3-4-15)5-17-2/h6,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyREQNUWDLTTUXPR-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.22
Rot. Bonds6

About 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide (PubChem CID 106161081) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide
PubChem CID106161081
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide
SMILESCOCC(CCO)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-8(13,9(10,11)12)7(16)14-6(3-4-15)5-17-2/h6,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyREQNUWDLTTUXPR-UHFFFAOYSA-N
XLogP-0.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
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-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide (CID 106161081) is 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide is COCC(CCO)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide?
The InChIKey is REQNUWDLTTUXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-8(13,9(10,11)12)7(16)14-6(3-4-15)5-17-2/h6,15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide has a molecular weight of 258.24 g/mol, XLogP of -0.22, 6 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-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 106161081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).