5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C10H11F4N3O — CID 39794275

IUPAC5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCC(C(F)(F)F)CC2)ncc1F
InChIInChI=1S/C10H11F4N3O/c11-7-5-15-9(16-8(7)18)17-3-1-6(2-4-17)10(12,13)14/h5-6H,1-4H2,(H,15,16,18)
InChIKeyZOXSVJXBPKITLD-UHFFFAOYSA-N
MW265.21 g/mol
LogP1.69
Rot. Bonds1

About 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 39794275) has the molecular formula C10H11F4N3O and a molecular weight of 265.21 g/mol. Its IUPAC name is 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID39794275
Molecular FormulaC10H11F4N3O
Molecular Weight265.21 g/mol
Exact Mass265.08
IUPAC Name5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCC(C(F)(F)F)CC2)ncc1F
InChIInChI=1S/C10H11F4N3O/c11-7-5-15-9(16-8(7)18)17-3-1-6(2-4-17)10(12,13)14/h5-6H,1-4H2,(H,15,16,18)
InChIKeyZOXSVJXBPKITLD-UHFFFAOYSA-N
XLogP1.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 21180002
5-chloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 146172003
5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 146172005
5-chloro-2-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 146172007
5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
CID 156726848
2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
CID 178584772
2-[4-(Cyclopentylmethyl)-1-piperazinyl]-5-fluoro-4-pyrimidinol
CID 39818054
2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371500
5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 166306959

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 39794275) is 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]c(N2CCC(C(F)(F)F)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZOXSVJXBPKITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3O/c11-7-5-15-9(16-8(7)18)17-3-1-6(2-4-17)10(12,13)14/h5-6H,1-4H2,(H,15,16,18).
What are the key properties of 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 265.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 39794275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).