N-tert-butyl-2,3,4,5,6-pentafluorobenzamide

C11H10F5NO — CID 2164535

IUPACN-tert-butyl-2,3,4,5,6-pentafluorobenzamide
SMILESCC(C)(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-11(2,3)17-10(18)4-5(12)7(14)9(16)8(15)6(4)13/h1-3H3,(H,17,18)
InChIKeyZIFGDAQGUVSIKX-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.91
Rot. Bonds1

About N-tert-butyl-2,3,4,5,6-pentafluorobenzamide

N-tert-butyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2164535) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is N-tert-butyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID2164535
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC NameN-tert-butyl-2,3,4,5,6-pentafluorobenzamide
SMILESCC(C)(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-11(2,3)17-10(18)4-5(12)7(14)9(16)8(15)6(4)13/h1-3H3,(H,17,18)
InChIKeyZIFGDAQGUVSIKX-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.91
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-tert-butyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-tert-butyl-2,3,4,5,6-pentafluorobenzamide (CID 2164535) is N-tert-butyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-tert-butyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-tert-butyl-2,3,4,5,6-pentafluorobenzamide is CC(C)(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-tert-butyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is ZIFGDAQGUVSIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-11(2,3)17-10(18)4-5(12)7(14)9(16)8(15)6(4)13/h1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2,3,4,5,6-pentafluorobenzamide?
N-tert-butyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 267.20 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2164535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).