3-cyclohexyl-5-fluoro-1-methylindole

C15H18FN — CID 142650131

IUPAC3-cyclohexyl-5-fluoro-1-methylindole
SMILESCn1cc(C2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C15H18FN/c1-17-10-14(11-5-3-2-4-6-11)13-9-12(16)7-8-15(13)17/h7-11H,2-6H2,1H3
InChIKeyJDCBCJSIKCGNRS-UHFFFAOYSA-N
MW231.31 g/mol
LogP4.37
Rot. Bonds1

About 3-cyclohexyl-5-fluoro-1-methylindole

3-cyclohexyl-5-fluoro-1-methylindole (PubChem CID 142650131) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 3-cyclohexyl-5-fluoro-1-methylindole.

Molecular Properties

Compound Name3-cyclohexyl-5-fluoro-1-methylindole
PubChem CID142650131
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name3-cyclohexyl-5-fluoro-1-methylindole
SMILESCn1cc(C2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C15H18FN/c1-17-10-14(11-5-3-2-4-6-11)13-9-12(16)7-8-15(13)17/h7-11H,2-6H2,1H3
InChIKeyJDCBCJSIKCGNRS-UHFFFAOYSA-N
XLogP4.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-fluoro-1-methylindole?
The IUPAC name of 3-cyclohexyl-5-fluoro-1-methylindole (CID 142650131) is 3-cyclohexyl-5-fluoro-1-methylindole.
What is the SMILES notation for 3-cyclohexyl-5-fluoro-1-methylindole?
The canonical SMILES for 3-cyclohexyl-5-fluoro-1-methylindole is Cn1cc(C2CCCCC2)c2cc(F)ccc21.
What is the InChIKey of 3-cyclohexyl-5-fluoro-1-methylindole?
The InChIKey is JDCBCJSIKCGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-17-10-14(11-5-3-2-4-6-11)13-9-12(16)7-8-15(13)17/h7-11H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-5-fluoro-1-methylindole?
3-cyclohexyl-5-fluoro-1-methylindole has a molecular weight of 231.31 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-fluoro-1-methylindole is sourced from PubChem (CID 142650131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).