3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one

C11H12FNO — CID 112586864

IUPAC3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one
SMILESCC1C(=O)C(C)C1c1ccc(F)cn1
InChIInChI=1S/C11H12FNO/c1-6-10(7(2)11(6)14)9-4-3-8(12)5-13-9/h3-7,10H,1-2H3
InChIKeyBODWHPOBPNSRES-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.16
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one

3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one (PubChem CID 112586864) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one
PubChem CID112586864
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one
SMILESCC1C(=O)C(C)C1c1ccc(F)cn1
InChIInChI=1S/C11H12FNO/c1-6-10(7(2)11(6)14)9-4-3-8(12)5-13-9/h3-7,10H,1-2H3
InChIKeyBODWHPOBPNSRES-UHFFFAOYSA-N
XLogP2.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one
CID 83128852
3-(5-fluoro-2-pyridinyl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
CID 112586637
1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
CID 126758640
3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine
CID 112586884
7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 112585711
3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 83129631
2,5-difluoropyridine;ethane
CID 156832194
6-(5-fluoro-2-pyridinyl)-5-methylpyridazin-3-amine
CID 112586154
1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750427
5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine
CID 83129132
2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol
CID 83128947
2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
CID 115940635

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one (CID 112586864) is 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one is CC1C(=O)C(C)C1c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one?
The InChIKey is BODWHPOBPNSRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-6-10(7(2)11(6)14)9-4-3-8(12)5-13-9/h3-7,10H,1-2H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one?
3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one has a molecular weight of 193.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-2,4-dimethylcyclobutan-1-one is sourced from PubChem (CID 112586864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).