2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide

C11H10F5NO2 — CID 2933250

IUPAC2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO2/c1-19-4-2-3-17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3,(H,17,18)
InChIKeyJUECNSKYWLRYQE-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.15
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide

2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide (PubChem CID 2933250) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide
PubChem CID2933250
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Name2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO2/c1-19-4-2-3-17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3,(H,17,18)
InChIKeyJUECNSKYWLRYQE-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide (CID 2933250) is 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide?
The InChIKey is JUECNSKYWLRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c1-19-4-2-3-17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3,(H,17,18).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide?
2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide has a molecular weight of 283.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 2933250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).