N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C8H11F7N2O — CID 163196984

IUPACN-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCN(C)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7N2O/c1-17(2)4-3-16-5(18)6(9,10)7(11,12)8(13,14)15/h3-4H2,1-2H3,(H,16,18)
InChIKeyOPDNXIQZYCYEQT-UHFFFAOYSA-N
MW284.18 g/mol
LogP1.50
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 163196984) has the molecular formula C8H11F7N2O and a molecular weight of 284.18 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID163196984
Molecular FormulaC8H11F7N2O
Molecular Weight284.18 g/mol
Exact Mass284.08
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCN(C)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7N2O/c1-17(2)4-3-16-5(18)6(9,10)7(11,12)8(13,14)15/h3-4H2,1-2H3,(H,16,18)
InChIKeyOPDNXIQZYCYEQT-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 51.50
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-methylpropyl)butanamide
CID 534742
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
N-(2-Butyl)heptafluorobutyramide
CID 617516
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
2,2,3,3,4,4,4-Heptafluoro-1-(piperazin-1-yl)butan-1-one
CID 21801001
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 163196984) is N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide is CN(C)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is OPDNXIQZYCYEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7N2O/c1-17(2)4-3-16-5(18)6(9,10)7(11,12)8(13,14)15/h3-4H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 284.18 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 163196984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).