2-(2,2-difluoroethylamino)-2-methylpropanamide

C6H12F2N2O — CID 61220948

IUPAC2-(2,2-difluoroethylamino)-2-methylpropanamide
SMILESCC(C)(NCC(F)F)C(N)=O
InChIInChI=1S/C6H12F2N2O/c1-6(2,5(9)11)10-3-4(7)8/h4,10H,3H2,1-2H3,(H2,9,11)
InChIKeyVBCDMUQHBWIRLN-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.10
Rot. Bonds4

About 2-(2,2-difluoroethylamino)-2-methylpropanamide

2-(2,2-difluoroethylamino)-2-methylpropanamide (PubChem CID 61220948) has the molecular formula C6H12F2N2O and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-2-methylpropanamide
PubChem CID61220948
Molecular FormulaC6H12F2N2O
Molecular Weight166.17 g/mol
Exact Mass166.09
IUPAC Name2-(2,2-difluoroethylamino)-2-methylpropanamide
SMILESCC(C)(NCC(F)F)C(N)=O
InChIInChI=1S/C6H12F2N2O/c1-6(2,5(9)11)10-3-4(7)8/h4,10H,3H2,1-2H3,(H2,9,11)
InChIKeyVBCDMUQHBWIRLN-UHFFFAOYSA-N
XLogP0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-2-methylpropanamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-2-methylpropanamide (CID 61220948) is 2-(2,2-difluoroethylamino)-2-methylpropanamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-2-methylpropanamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-2-methylpropanamide is CC(C)(NCC(F)F)C(N)=O.
What is the InChIKey of 2-(2,2-difluoroethylamino)-2-methylpropanamide?
The InChIKey is VBCDMUQHBWIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O/c1-6(2,5(9)11)10-3-4(7)8/h4,10H,3H2,1-2H3,(H2,9,11).
What are the key properties of 2-(2,2-difluoroethylamino)-2-methylpropanamide?
2-(2,2-difluoroethylamino)-2-methylpropanamide has a molecular weight of 166.17 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-2-methylpropanamide is sourced from PubChem (CID 61220948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).