1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

C10H13F2N3O2 — CID 63032581

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C10H13F2N3O2/c11-10(12)15-4-2-13-8(15)6-14-3-1-7(5-14)9(16)17/h2,4,7,10H,1,3,5-6H2,(H,16,17)
InChIKeyYATNMBWYEIROSR-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.18
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032581) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID63032581
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C10H13F2N3O2/c11-10(12)15-4-2-13-8(15)6-14-3-1-7(5-14)9(16)17/h2,4,7,10H,1,3,5-6H2,(H,16,17)
InChIKeyYATNMBWYEIROSR-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 63032581) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2nccn2C(F)F)C1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YATNMBWYEIROSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-10(12)15-4-2-13-8(15)6-14-3-1-7(5-14)9(16)17/h2,4,7,10H,1,3,5-6H2,(H,16,17).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).