2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one

C15H16FNO — CID 84631904

IUPAC2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H16FNO/c16-12-5-6-14-13(8-12)11(9-17-14)7-10-3-1-2-4-15(10)18/h5-6,8-10,17H,1-4,7H2
InChIKeyVQUUMTHJTDEJQE-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.61
Rot. Bonds2

About 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one

2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one (PubChem CID 84631904) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
PubChem CID84631904
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H16FNO/c16-12-5-6-14-13(8-12)11(9-17-14)7-10-3-1-2-4-15(10)18/h5-6,8-10,17H,1-4,7H2
InChIKeyVQUUMTHJTDEJQE-UHFFFAOYSA-N
XLogP3.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84625328
N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
CID 117174955
2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 82083610
2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84630870
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
CID 162402410
3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
CID 84630302
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one (CID 84631904) is 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one is O=C1CCCCC1Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one?
The InChIKey is VQUUMTHJTDEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-12-5-6-14-13(8-12)11(9-17-14)7-10-3-1-2-4-15(10)18/h5-6,8-10,17H,1-4,7H2.
What are the key properties of 2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one?
2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one has a molecular weight of 245.30 g/mol, XLogP of 3.61, 2 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)methyl]cyclohexan-1-one is sourced from PubChem (CID 84631904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).