2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C10H19F3N2O3 — CID 106159575

IUPAC2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCC(CCO)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-7(9(17)14-6-10(11,12)13)15-8(3-4-16)5-18-2/h7-8,15-16H,3-6H2,1-2H3,(H,14,17)
InChIKeyKQFMIWFVQPHDFZ-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.04
Rot. Bonds8

About 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106159575) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106159575
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Name2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCC(CCO)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-7(9(17)14-6-10(11,12)13)15-8(3-4-16)5-18-2/h7-8,15-16H,3-6H2,1-2H3,(H,14,17)
InChIKeyKQFMIWFVQPHDFZ-UHFFFAOYSA-N
XLogP0.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106159575) is 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is COCC(CCO)NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KQFMIWFVQPHDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-7(9(17)14-6-10(11,12)13)15-8(3-4-16)5-18-2/h7-8,15-16H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 272.27 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106159575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).