2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one

C12H10FNO — CID 162402410

IUPAC2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
SMILESO=C1CCC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H10FNO/c13-7-1-3-11-9(5-7)10(6-14-11)8-2-4-12(8)15/h1,3,5-6,8,14H,2,4H2
InChIKeyLJHDWIORANZCSU-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.75
Rot. Bonds1

About 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one

2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one (PubChem CID 162402410) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
PubChem CID162402410
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
SMILESO=C1CCC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H10FNO/c13-7-1-3-11-9(5-7)10(6-14-11)8-2-4-12(8)15/h1,3,5-6,8,14H,2,4H2
InChIKeyLJHDWIORANZCSU-UHFFFAOYSA-N
XLogP2.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
CID 84631904
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
3-(5-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887100
3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole
CID 10564325
trans-(2S,5R)-2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one
CID 7353942
cis-(2S,5S)-2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one
CID 7353943
(3S)-3-(6-fluoro-1H-indol-3-yl)cyclopentan-1-one
CID 129389093
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
5-fluoro-1H-indol-3-ol
CID 90083452
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one (CID 162402410) is 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one is O=C1CCC1c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one?
The InChIKey is LJHDWIORANZCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c13-7-1-3-11-9(5-7)10(6-14-11)8-2-4-12(8)15/h1,3,5-6,8,14H,2,4H2.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one?
2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one has a molecular weight of 203.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one is sourced from PubChem (CID 162402410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).