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

C10H17F4NO2 — CID 103843283

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCC(CC)(CO)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO2/c1-3-9(4-2,6-16)5-15-8(17)10(13,14)7(11)12/h7,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyNTMQSZSKRZLSDV-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.80
Rot. Bonds7

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

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103843283) has the molecular formula C10H17F4NO2 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103843283
Molecular FormulaC10H17F4NO2
Molecular Weight259.24 g/mol
Exact Mass259.12
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCC(CC)(CO)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO2/c1-3-9(4-2,6-16)5-15-8(17)10(13,14)7(11)12/h7,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyNTMQSZSKRZLSDV-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
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
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)-4,4,4-trifluorobutanamide
CID 80308442
4,4,4-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)butanamide
CID 81646899
N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310215
3,3,3-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)propanamide
CID 103310246
3-(2,2-difluoroethoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103525127
3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 103525825
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide
CID 103526983

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide (CID 103843283) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide is CCC(CC)(CO)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is NTMQSZSKRZLSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2/c1-3-9(4-2,6-16)5-15-8(17)10(13,14)7(11)12/h7,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 259.24 g/mol, XLogP of 1.80, 7 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]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103843283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).