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

C7H6F9NO — CID 4280657

IUPACN-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F9NO/c1-2-17-3(18)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3,(H,17,18)
InChIKeyBPUDDBGLNYFQPY-UHFFFAOYSA-N
MW291.11 g/mol
LogP2.59
Rot. Bonds4

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

N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 4280657) has the molecular formula C7H6F9NO and a molecular weight of 291.11 g/mol. Its IUPAC name is N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID4280657
Molecular FormulaC7H6F9NO
Molecular Weight291.11 g/mol
Exact Mass291.03
IUPAC NameN-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F9NO/c1-2-17-3(18)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3,(H,17,18)
InChIKeyBPUDDBGLNYFQPY-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 4280657) is N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is BPUDDBGLNYFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F9NO/c1-2-17-3(18)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3,(H,17,18).
What are the key properties of N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 291.11 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 4280657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).