N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide

C9H16F3NO2 — CID 103843679

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide
SMILESCCC(CC)(CO)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-3-8(4-2,6-14)5-13-7(15)9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15)
InChIKeyFAZYCTWANMKCHK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds5

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide (PubChem CID 103843679) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide
PubChem CID103843679
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide
SMILESCCC(CC)(CO)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-3-8(4-2,6-14)5-13-7(15)9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15)
InChIKeyFAZYCTWANMKCHK-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155154968
ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
2,2,2-trifluoro-N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]acetamide
CID 156250032
N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
CID 156694095
2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 169193243
N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide
CID 175102187
N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoropropanamide
CID 80308123
N-(2-ethyl-4-hydroxybutyl)-2,2,2-trifluoroacetamide
CID 80308620
2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80717029
2-Ethyl-2-[(2,2,2-trifluoroethylamino)methyl]butan-1-ol
CID 81411678
2-Ethyl-2-[(3,3,3-trifluoropropylamino)methyl]butan-1-ol
CID 81419946
4,4,4-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)butanamide
CID 81646899

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide (CID 103843679) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide is CCC(CC)(CO)CNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide?
The InChIKey is FAZYCTWANMKCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-3-8(4-2,6-14)5-13-7(15)9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 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-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103843679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).