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

C11H10F5NO — CID 606772

IUPAC2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-4(2)3-17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3,(H,17,18)
InChIKeyNOSMWIOGDRKPEP-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.77
Rot. Bonds3

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

2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide (PubChem CID 606772) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide
PubChem CID606772
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-4(2)3-17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3,(H,17,18)
InChIKeyNOSMWIOGDRKPEP-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.77
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 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide (CID 606772) is 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide?
The InChIKey is NOSMWIOGDRKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-4(2)3-17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3,(H,17,18).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide?
2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide has a molecular weight of 267.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 606772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).