N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide

C7H12F2N2O2 — CID 54533422

IUPACN-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide
SMILESCC(NC(=O)C(C)C(F)F)C(N)=O
InChIInChI=1S/C7H12F2N2O2/c1-3(5(8)9)7(13)11-4(2)6(10)12/h3-5H,1-2H3,(H2,10,12)(H,11,13)
InChIKeyYYDAOLQXCOSZLU-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.12
Rot. Bonds4

About N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide

N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide (PubChem CID 54533422) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide
PubChem CID54533422
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide
SMILESCC(NC(=O)C(C)C(F)F)C(N)=O
InChIInChI=1S/C7H12F2N2O2/c1-3(5(8)9)7(13)11-4(2)6(10)12/h3-5H,1-2H3,(H2,10,12)(H,11,13)
InChIKeyYYDAOLQXCOSZLU-UHFFFAOYSA-N
XLogP-0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide (CID 54533422) is N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide is CC(NC(=O)C(C)C(F)F)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide?
The InChIKey is YYDAOLQXCOSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-3(5(8)9)7(13)11-4(2)6(10)12/h3-5H,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide?
N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide has a molecular weight of 194.18 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide is sourced from PubChem (CID 54533422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).