2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide

C7H8F7NO2 — CID 91737616

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
SMILESCN(CCO)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO2/c1-15(2-3-16)4(17)5(8,9)6(10,11)7(12,13)14/h16H,2-3H2,1H3
InChIKeyLVLGIETZPOZQTK-UHFFFAOYSA-N
MW271.13 g/mol
LogP1.27
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide (PubChem CID 91737616) has the molecular formula C7H8F7NO2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
PubChem CID91737616
Molecular FormulaC7H8F7NO2
Molecular Weight271.13 g/mol
Exact Mass271.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
SMILESCN(CCO)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO2/c1-15(2-3-16)4(17)5(8,9)6(10,11)7(12,13)14/h16H,2-3H2,1H3
InChIKeyLVLGIETZPOZQTK-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 51.27
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

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CID 57161818
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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
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
2-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 54031663
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 59440884
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443
2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide
CID 88583412

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide (CID 91737616) is 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide is CN(CCO)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide?
The InChIKey is LVLGIETZPOZQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO2/c1-15(2-3-16)4(17)5(8,9)6(10,11)7(12,13)14/h16H,2-3H2,1H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide has a molecular weight of 271.13 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide is sourced from PubChem (CID 91737616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).