4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one

C10H10F2N2O — CID 178126609

IUPAC4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C23CC(C(F)F)(C2)C3)nc[nH]1
InChIInChI=1S/C10H10F2N2O/c11-8(12)10-2-9(3-10,4-10)6-1-7(15)14-5-13-6/h1,5,8H,2-4H2,(H,13,14,15)
InChIKeyTYEBIDCEPBBUMR-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.46
Rot. Bonds2

About 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one

4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one (PubChem CID 178126609) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one
PubChem CID178126609
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C23CC(C(F)F)(C2)C3)nc[nH]1
InChIInChI=1S/C10H10F2N2O/c11-8(12)10-2-9(3-10,4-10)6-1-7(15)14-5-13-6/h1,5,8H,2-4H2,(H,13,14,15)
InChIKeyTYEBIDCEPBBUMR-UHFFFAOYSA-N
XLogP1.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one (CID 178126609) is 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one is O=c1cc(C23CC(C(F)F)(C2)C3)nc[nH]1.
What is the InChIKey of 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one?
The InChIKey is TYEBIDCEPBBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-8(12)10-2-9(3-10,4-10)6-1-7(15)14-5-13-6/h1,5,8H,2-4H2,(H,13,14,15).
What are the key properties of 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one?
4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one has a molecular weight of 212.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 178126609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).