N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide

C13H24F3NO2 — CID 103915403

IUPACN-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCC(CC(=O)N(CCO)CC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C13H24F3NO2/c1-10(8-12(2,3)4)7-11(19)17(5-6-18)9-13(14,15)16/h10,18H,5-9H2,1-4H3
InChIKeyTZHBAJBTICOKET-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.83
Rot. Bonds6

About N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide

N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 103915403) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID103915403
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCC(CC(=O)N(CCO)CC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C13H24F3NO2/c1-10(8-12(2,3)4)7-11(19)17(5-6-18)9-13(14,15)16/h10,18H,5-9H2,1-4H3
InChIKeyTZHBAJBTICOKET-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide (CID 103915403) is N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide is CC(CC(=O)N(CCO)CC(F)(F)F)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is TZHBAJBTICOKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-10(8-12(2,3)4)7-11(19)17(5-6-18)9-13(14,15)16/h10,18H,5-9H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 283.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 103915403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).