N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide

C9H11F8NO — CID 19831698

IUPACN,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H11F8NO/c1-3-18(4-2)6(19)8(14,15)9(16,17)7(12,13)5(10)11/h5H,3-4H2,1-2H3
InChIKeySEBSRZLKXPUIJI-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.03
Rot. Bonds6

About N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide

N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide (PubChem CID 19831698) has the molecular formula C9H11F8NO and a molecular weight of 301.18 g/mol. Its IUPAC name is N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide.

Molecular Properties

Compound NameN,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide
PubChem CID19831698
Molecular FormulaC9H11F8NO
Molecular Weight301.18 g/mol
Exact Mass301.07
IUPAC NameN,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H11F8NO/c1-3-18(4-2)6(19)8(14,15)9(16,17)7(12,13)5(10)11/h5H,3-4H2,1-2H3
InChIKeySEBSRZLKXPUIJI-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N,N-dipropylpentanamide
CID 304102
N,N-Dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 617533
2,2,3,3,4,4,4-Heptafluoro-N,N-bis(2-methylpropyl)butanamide
CID 4606680
N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748487
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4185686
Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
CID 4379511
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
n,n-Diethylpentanamide
CID 285599

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide?
The IUPAC name of N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide (CID 19831698) is N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide.
What is the SMILES notation for N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide?
The canonical SMILES for N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide is CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide?
The InChIKey is SEBSRZLKXPUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F8NO/c1-3-18(4-2)6(19)8(14,15)9(16,17)7(12,13)5(10)11/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide?
N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide has a molecular weight of 301.18 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide is sourced from PubChem (CID 19831698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).