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

C9H10F9NO — CID 3660287

IUPACN,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-3-19(4-2)5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H2,1-2H3
InChIKeyWBUMDKALJWQLNV-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.32
Rot. Bonds5

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

N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 3660287) has the molecular formula C9H10F9NO and a molecular weight of 319.17 g/mol. Its IUPAC name is N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID3660287
Molecular FormulaC9H10F9NO
Molecular Weight319.17 g/mol
Exact Mass319.06
IUPAC NameN,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-3-19(4-2)5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H2,1-2H3
InChIKeyWBUMDKALJWQLNV-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.32
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

CID 4196056
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CID 304102
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CID 617533
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CID 4606680
CID 4606680
CID 2748487
CID 2748487
CID 4362103
CID 4362103
CID 5051020
CID 5051020
CID 4185686
CID 4185686
CID 4379511
CID 4379511
CID 136233
CID 136233
CID 285599
CID 285599
CID 304103
CID 304103

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 3660287) is N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is WBUMDKALJWQLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO/c1-3-19(4-2)5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 319.17 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 3660287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).