N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide

C9H16F3NO2 — CID 65112212

IUPACN-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide
SMILESCCC(O)(CC)CNC(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-3-8(15,4-2)6-13-7(14)5-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyXSLIFQPYQZJURE-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.61
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide

N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide (PubChem CID 65112212) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide
PubChem CID65112212
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide
SMILESCCC(O)(CC)CNC(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-3-8(15,4-2)6-13-7(14)5-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyXSLIFQPYQZJURE-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide (CID 65112212) is N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide is CCC(O)(CC)CNC(=O)CC(F)(F)F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide?
The InChIKey is XSLIFQPYQZJURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-3-8(15,4-2)6-13-7(14)5-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide?
N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide has a molecular weight of 227.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 65112212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).