N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide

C8H14F3NO2 — CID 65111004

IUPACN-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide
SMILESCCC(O)(CC)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-7(14,4-2)5-12-6(13)8(9,10)11/h14H,3-5H2,1-2H3,(H,12,13)
InChIKeyRAKSRVXCIVMWNT-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.22
Rot. Bonds4

About N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide

N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide (PubChem CID 65111004) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide
PubChem CID65111004
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide
SMILESCCC(O)(CC)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-7(14,4-2)5-12-6(13)8(9,10)11/h14H,3-5H2,1-2H3,(H,12,13)
InChIKeyRAKSRVXCIVMWNT-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.22
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)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide (CID 65111004) is N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide is CCC(O)(CC)CNC(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide?
The InChIKey is RAKSRVXCIVMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-7(14,4-2)5-12-6(13)8(9,10)11/h14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide?
N-(2-ethyl-2-hydroxybutyl)-2,2,2-trifluoroacetamide has a molecular weight of 213.20 g/mol, XLogP of 1.22, 4 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)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 65111004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).