2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide

C6H8F5NO2 — CID 91730500

IUPAC2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2/c1-12(2-3-13)4(14)5(7,8)6(9,10)11/h13H,2-3H2,1H3
InChIKeyFTBACXWEFJACDL-UHFFFAOYSA-N
MW221.12 g/mol
LogP0.63
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide

2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 91730500) has the molecular formula C6H8F5NO2 and a molecular weight of 221.12 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID91730500
Molecular FormulaC6H8F5NO2
Molecular Weight221.12 g/mol
Exact Mass221.05
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2/c1-12(2-3-13)4(14)5(7,8)6(9,10)11/h13H,2-3H2,1H3
InChIKeyFTBACXWEFJACDL-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 50.63
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

N-bis(2-hydroxyethyl)propanamide
CID 112269
N-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
2,2,3,3,4,4,4-Heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 91737616
N-(2-hydroxyethyl)-N-methylpropionamide
CID 19991879
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64590692
Acetamide, trifluoro-N-trifluoroacetyl-N-(2-hydroxyethyl)-
CID 91712836
N-Ethyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 91733399
2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
N-(2,2,2-trifluoroethyl)-N-methyl-hydroxyacetic acid amide
CID 13090851

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide (CID 91730500) is 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide is CN(CCO)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is FTBACXWEFJACDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO2/c1-12(2-3-13)4(14)5(7,8)6(9,10)11/h13H,2-3H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide?
2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 221.12 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 91730500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).