N-tert-butyl-2,6-difluorobenzamide

C11H13F2NO — CID 794929

IUPACN-tert-butyl-2,6-difluorobenzamide
SMILESCC(C)(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO/c1-11(2,3)14-10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyDTGFXPAMKBRYLZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.49
Rot. Bonds1

About N-tert-butyl-2,6-difluorobenzamide

N-tert-butyl-2,6-difluorobenzamide (PubChem CID 794929) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-tert-butyl-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-difluorobenzamide
PubChem CID794929
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-tert-butyl-2,6-difluorobenzamide
SMILESCC(C)(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO/c1-11(2,3)14-10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyDTGFXPAMKBRYLZ-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-difluorobenzamide?
The IUPAC name of N-tert-butyl-2,6-difluorobenzamide (CID 794929) is N-tert-butyl-2,6-difluorobenzamide.
What is the SMILES notation for N-tert-butyl-2,6-difluorobenzamide?
The canonical SMILES for N-tert-butyl-2,6-difluorobenzamide is CC(C)(C)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-tert-butyl-2,6-difluorobenzamide?
The InChIKey is DTGFXPAMKBRYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-11(2,3)14-10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2,6-difluorobenzamide?
N-tert-butyl-2,6-difluorobenzamide has a molecular weight of 213.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-difluorobenzamide is sourced from PubChem (CID 794929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).