4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one

C10H11FN2O — CID 177365237

IUPAC4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one
SMILESO=C1CCC(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H11FN2O/c11-8-5-12-10(13-6-8)7-1-3-9(14)4-2-7/h5-7H,1-4H2
InChIKeyKZSAHJKQGORAGM-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.84
Rot. Bonds1

About 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one

4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one (PubChem CID 177365237) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one
PubChem CID177365237
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one
SMILESO=C1CCC(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H11FN2O/c11-8-5-12-10(13-6-8)7-1-3-9(14)4-2-7/h5-7H,1-4H2
InChIKeyKZSAHJKQGORAGM-UHFFFAOYSA-N
XLogP1.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 15729924
4-(5-Fluoropyrimidin-2-yl)butanal
CID 21919391
4-(5-Fluoropyrimidin-2-yl)butanamide
CID 67017175
1-[4-[1-Fluoro-2-(5-pentylpyrimidin-2-yl)ethyl]cyclohexyl]propan-1-one
CID 70445156
5-Fluoro-2-(4-methylidenecyclohexyl)pyrimidine
CID 91144297
2-Cyclohexyl-5-fluoropyrimidine
CID 91806636
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 104606097
5-Fluoro-2-heptan-3-ylpyrimidine
CID 134341569
2-Cyclohexyl-5-fluoropyrimidin-4-amine
CID 140172810
4-[2-(Trifluoromethyl)pyrimidin-5-yl]cyclohexan-1-one
CID 141720641
3-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-3-methylbutan-2-one
CID 142475938
3-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-one
CID 144111429

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one (CID 177365237) is 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one is O=C1CCC(c2ncc(F)cn2)CC1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one?
The InChIKey is KZSAHJKQGORAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-8-5-12-10(13-6-8)7-1-3-9(14)4-2-7/h5-7H,1-4H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one?
4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one has a molecular weight of 194.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 177365237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).