2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one

C15H16FNO — CID 170555000

IUPAC2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one
SMILESCc1cc2ccc(F)cc2n1C1CCCCC1=O
InChIInChI=1S/C15H16FNO/c1-10-8-11-6-7-12(16)9-14(11)17(10)13-4-2-3-5-15(13)18/h6-9,13H,2-5H2,1H3
InChIKeyFBSGWOSJUALIGO-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.77
Rot. Bonds1

About 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one

2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one (PubChem CID 170555000) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one
PubChem CID170555000
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one
SMILESCc1cc2ccc(F)cc2n1C1CCCCC1=O
InChIInChI=1S/C15H16FNO/c1-10-8-11-6-7-12(16)9-14(11)17(10)13-4-2-3-5-15(13)18/h6-9,13H,2-5H2,1H3
InChIKeyFBSGWOSJUALIGO-UHFFFAOYSA-N
XLogP3.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one
CID 170555001
3-(4-fluoro-2-methylphenyl)cycloheptan-1-one
CID 64504558
2-(3-fluoro-5-methylphenyl)cycloheptan-1-one
CID 79705167
2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one
CID 86191576
1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione
CID 122233169
2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one
CID 79569634
2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 82083610
2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
2-(5-fluoro-2-methylphenyl)-1-hydroxypiperidine
CID 159531377
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
CID 167470600
2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
CID 84631908

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one (CID 170555000) is 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one is Cc1cc2ccc(F)cc2n1C1CCCCC1=O.
What is the InChIKey of 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one?
The InChIKey is FBSGWOSJUALIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-8-11-6-7-12(16)9-14(11)17(10)13-4-2-3-5-15(13)18/h6-9,13H,2-5H2,1H3.
What are the key properties of 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one?
2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one has a molecular weight of 245.30 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methylindol-1-yl)cyclohexan-1-one is sourced from PubChem (CID 170555000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).