3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide

C6H8F2N4O — CID 130600861

IUPAC3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
SMILESNCC(F)(F)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C6H8F2N4O/c7-6(8,3-9)4(13)12-5-10-1-2-11-5/h1-2H,3,9H2,(H2,10,11,12,13)
InChIKeyOLDGHWBGLOLSAC-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.06
Rot. Bonds3

About 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide

3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide (PubChem CID 130600861) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
PubChem CID130600861
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
SMILESNCC(F)(F)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C6H8F2N4O/c7-6(8,3-9)4(13)12-5-10-1-2-11-5/h1-2H,3,9H2,(H2,10,11,12,13)
InChIKeyOLDGHWBGLOLSAC-UHFFFAOYSA-N
XLogP-0.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide (CID 130600861) is 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide is NCC(F)(F)C(=O)Nc1ncc[nH]1.
What is the InChIKey of 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is OLDGHWBGLOLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c7-6(8,3-9)4(13)12-5-10-1-2-11-5/h1-2H,3,9H2,(H2,10,11,12,13).
What are the key properties of 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide?
3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 190.15 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 130600861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).