2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide

C8H11F6NO2 — CID 170638944

IUPAC2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
SMILESCN(CCO)C(=O)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-6(9,5(17)15(2)3-4-16)7(10,11)8(12,13)14/h16H,3-4H2,1-2H3
InChIKeyWANKGDNNGKXVRE-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.36
Rot. Bonds4

About 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide

2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide (PubChem CID 170638944) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
PubChem CID170638944
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
SMILESCN(CCO)C(=O)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-6(9,5(17)15(2)3-4-16)7(10,11)8(12,13)14/h16H,3-4H2,1-2H3
InChIKeyWANKGDNNGKXVRE-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 91737616
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
2,2,3,3,3-Pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
CID 91730500
N-Ethyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 91733399
2-Hydroxyethyl-dimethyl-(5,5,5-trifluoropentanoyl)azanium
CID 17914030
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 59440884
3,3-difluoro-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide
CID 156297819
1-fluoro-N-(2-hydroxyethyl)-N-methylcyclopropane-1-carboxamide
CID 156298284
2,2-difluoro-N-(2-hydroxyethyl)-N-methylcyclopropane-1-carboxamide
CID 156303095
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573113
N-(2-hydroxyethyl)-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 60952374

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
The IUPAC name of 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide (CID 170638944) is 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide is CN(CCO)C(=O)C(C)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
The InChIKey is WANKGDNNGKXVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c1-6(9,5(17)15(2)3-4-16)7(10,11)8(12,13)14/h16H,3-4H2,1-2H3.
What are the key properties of 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide has a molecular weight of 267.17 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,4-hexafluoro-N-(2-hydroxyethyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 170638944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).