2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde

C10H10F3N3O — CID 88932488

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde
SMILESO=Cc1nc(N2CCC(F)(F)CC2)ncc1F
InChIInChI=1S/C10H10F3N3O/c11-7-5-14-9(15-8(7)6-17)16-3-1-10(12,13)2-4-16/h5-6H,1-4H2
InChIKeyURGNLERDDDXFIL-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.66
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde

2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde (PubChem CID 88932488) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde
PubChem CID88932488
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde
SMILESO=Cc1nc(N2CCC(F)(F)CC2)ncc1F
InChIInChI=1S/C10H10F3N3O/c11-7-5-14-9(15-8(7)6-17)16-3-1-10(12,13)2-4-16/h5-6H,1-4H2
InChIKeyURGNLERDDDXFIL-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde (CID 88932488) is 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde is O=Cc1nc(N2CCC(F)(F)CC2)ncc1F.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde?
The InChIKey is URGNLERDDDXFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-7-5-14-9(15-8(7)6-17)16-3-1-10(12,13)2-4-16/h5-6H,1-4H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde?
2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde has a molecular weight of 245.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidine-4-carbaldehyde is sourced from PubChem (CID 88932488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).