1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one

C10H8F3N3O — CID 99791421

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1Cc1nccn1C(F)F
InChIInChI=1S/C10H8F3N3O/c11-7-1-2-9(17)15(5-7)6-8-14-3-4-16(8)10(12)13/h1-5,10H,6H2
InChIKeyDEGWBUBBUAUNSE-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.63
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one (PubChem CID 99791421) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
PubChem CID99791421
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
SMILESO=c1ccc(F)cn1Cc1nccn1C(F)F
InChIInChI=1S/C10H8F3N3O/c11-7-1-2-9(17)15(5-7)6-8-14-3-4-16(8)10(12)13/h1-5,10H,6H2
InChIKeyDEGWBUBBUAUNSE-UHFFFAOYSA-N
XLogP1.63
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one (CID 99791421) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one is O=c1ccc(F)cn1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one?
The InChIKey is DEGWBUBBUAUNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-7-1-2-9(17)15(5-7)6-8-14-3-4-16(8)10(12)13/h1-5,10H,6H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one has a molecular weight of 243.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 99791421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).