(3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone

C9H11F2N3O — CID 171523885

IUPAC(3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone
SMILESO=C(N1CCCC(F)(F)C1)n1ccnc1
InChIInChI=1S/C9H11F2N3O/c10-9(11)2-1-4-13(6-9)8(15)14-5-3-12-7-14/h3,5,7H,1-2,4,6H2
InChIKeyWLMXIBJQSVKNCS-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.58
Rot. Bonds

About (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone

(3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone (PubChem CID 171523885) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone
PubChem CID171523885
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name(3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone
SMILESO=C(N1CCCC(F)(F)C1)n1ccnc1
InChIInChI=1S/C9H11F2N3O/c10-9(11)2-1-4-13(6-9)8(15)14-5-3-12-7-14/h3,5,7H,1-2,4,6H2
InChIKeyWLMXIBJQSVKNCS-UHFFFAOYSA-N
XLogP1.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone (CID 171523885) is (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone is O=C(N1CCCC(F)(F)C1)n1ccnc1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone?
The InChIKey is WLMXIBJQSVKNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)2-1-4-13(6-9)8(15)14-5-3-12-7-14/h3,5,7H,1-2,4,6H2.
What are the key properties of (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone?
(3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone has a molecular weight of 215.20 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-imidazol-1-ylmethanone is sourced from PubChem (CID 171523885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).