N'-tert-butyl-2,2-difluoropropanediamide

C7H12F2N2O2 — CID 139520564

IUPACN'-tert-butyl-2,2-difluoropropanediamide
SMILESCC(C)(C)NC(=O)C(F)(F)C(N)=O
InChIInChI=1S/C7H12F2N2O2/c1-6(2,3)11-5(13)7(8,9)4(10)12/h1-3H3,(H2,10,12)(H,11,13)
InChIKeyAUTWPVOMFRXISC-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.02
Rot. Bonds2

About N'-tert-butyl-2,2-difluoropropanediamide

N'-tert-butyl-2,2-difluoropropanediamide (PubChem CID 139520564) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is N'-tert-butyl-2,2-difluoropropanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2,2-difluoropropanediamide
PubChem CID139520564
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC NameN'-tert-butyl-2,2-difluoropropanediamide
SMILESCC(C)(C)NC(=O)C(F)(F)C(N)=O
InChIInChI=1S/C7H12F2N2O2/c1-6(2,3)11-5(13)7(8,9)4(10)12/h1-3H3,(H2,10,12)(H,11,13)
InChIKeyAUTWPVOMFRXISC-UHFFFAOYSA-N
XLogP0.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2,2-difluoropropanediamide?
The IUPAC name of N'-tert-butyl-2,2-difluoropropanediamide (CID 139520564) is N'-tert-butyl-2,2-difluoropropanediamide.
What is the SMILES notation for N'-tert-butyl-2,2-difluoropropanediamide?
The canonical SMILES for N'-tert-butyl-2,2-difluoropropanediamide is CC(C)(C)NC(=O)C(F)(F)C(N)=O.
What is the InChIKey of N'-tert-butyl-2,2-difluoropropanediamide?
The InChIKey is AUTWPVOMFRXISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-6(2,3)11-5(13)7(8,9)4(10)12/h1-3H3,(H2,10,12)(H,11,13).
What are the key properties of N'-tert-butyl-2,2-difluoropropanediamide?
N'-tert-butyl-2,2-difluoropropanediamide has a molecular weight of 194.18 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2,2-difluoropropanediamide is sourced from PubChem (CID 139520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).