6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide

C12H23F3N2O2 — CID 65292478

IUPAC6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCC(C)(CCC(=O)N(CCO)CC(F)(F)F)CCN
InChIInChI=1S/C12H23F3N2O2/c1-11(2,5-6-16)4-3-10(19)17(7-8-18)9-12(13,14)15/h18H,3-9,16H2,1-2H3
InChIKeyBYXNQFVQKOXQMB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.00
Rot. Bonds8

About 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide

6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 65292478) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID65292478
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCC(C)(CCC(=O)N(CCO)CC(F)(F)F)CCN
InChIInChI=1S/C12H23F3N2O2/c1-11(2,5-6-16)4-3-10(19)17(7-8-18)9-12(13,14)15/h18H,3-9,16H2,1-2H3
InChIKeyBYXNQFVQKOXQMB-UHFFFAOYSA-N
XLogP1.00
TPSA66.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity281

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide (CID 65292478) is 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide is CC(C)(CCC(=O)N(CCO)CC(F)(F)F)CCN.
What is the InChIKey of 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is BYXNQFVQKOXQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-11(2,5-6-16)4-3-10(19)17(7-8-18)9-12(13,14)15/h18H,3-9,16H2,1-2H3.
What are the key properties of 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 284.32 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 65292478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).