N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide

C10H18F3NO2 — CID 103843201

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide
SMILESCCC(CC)(CO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-9(4-2,7-15)6-14-8(16)5-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyHJVXLEWDUWVCRG-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide (PubChem CID 103843201) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide
PubChem CID103843201
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide
SMILESCCC(CC)(CO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-9(4-2,7-15)6-14-8(16)5-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyHJVXLEWDUWVCRG-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
N-(2-fluoro-3-hydroxypropyl)-2,2-dimethylpropanamide
CID 117797884
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
3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 167425102
2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 169193243
N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane
CID 170583212
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
CID 171733416
N-(3-ethyl-1-hydroxy-3-methylpentan-2-yl)-2,2,2-trifluoroacetamide
CID 175102187
3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66106455

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide (CID 103843201) is N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide is CCC(CC)(CO)CNC(=O)CC(F)(F)F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide?
The InChIKey is HJVXLEWDUWVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-9(4-2,7-15)6-14-8(16)5-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 6 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]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 103843201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).