N-(2,3,4,5,6-pentafluorophenyl)propanamide

C9H6F5NO — CID 4556823

IUPACN-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H6F5NO/c1-2-3(16)15-9-7(13)5(11)4(10)6(12)8(9)14/h2H2,1H3,(H,15,16)
InChIKeyLBMDSWIJNXBFAJ-UHFFFAOYSA-N
MW239.14 g/mol
LogP2.73
Rot. Bonds2

About N-(2,3,4,5,6-pentafluorophenyl)propanamide

N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 4556823) has the molecular formula C9H6F5NO and a molecular weight of 239.14 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID4556823
Molecular FormulaC9H6F5NO
Molecular Weight239.14 g/mol
Exact Mass239.04
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H6F5NO/c1-2-3(16)15-9-7(13)5(11)4(10)6(12)8(9)14/h2H2,1H3,(H,15,16)
InChIKeyLBMDSWIJNXBFAJ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 4556823) is N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)propanamide is CCC(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is LBMDSWIJNXBFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO/c1-2-3(16)15-9-7(13)5(11)4(10)6(12)8(9)14/h2H2,1H3,(H,15,16).
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)propanamide?
N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 239.14 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 4556823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).