4,6-difluoro-1-(4-methylcyclohexyl)indole

C15H17F2N — CID 118162022

IUPAC4,6-difluoro-1-(4-methylcyclohexyl)indole
SMILESCC1CCC(n2ccc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C15H17F2N/c1-10-2-4-12(5-3-10)18-7-6-13-14(17)8-11(16)9-15(13)18/h6-10,12H,2-5H2,1H3
InChIKeyHKQZLLTWGRRMOH-UHFFFAOYSA-N
MW249.30 g/mol
LogP4.67
Rot. Bonds1

About 4,6-difluoro-1-(4-methylcyclohexyl)indole

4,6-difluoro-1-(4-methylcyclohexyl)indole (PubChem CID 118162022) has the molecular formula C15H17F2N and a molecular weight of 249.30 g/mol. Its IUPAC name is 4,6-difluoro-1-(4-methylcyclohexyl)indole.

Molecular Properties

Compound Name4,6-difluoro-1-(4-methylcyclohexyl)indole
PubChem CID118162022
Molecular FormulaC15H17F2N
Molecular Weight249.30 g/mol
Exact Mass249.13
IUPAC Name4,6-difluoro-1-(4-methylcyclohexyl)indole
SMILESCC1CCC(n2ccc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C15H17F2N/c1-10-2-4-12(5-3-10)18-7-6-13-14(17)8-11(16)9-15(13)18/h6-10,12H,2-5H2,1H3
InChIKeyHKQZLLTWGRRMOH-UHFFFAOYSA-N
XLogP4.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole
CID 168939750
2-(2-chloroethyl)-4,6-difluoro-1-(4-methylcyclohexyl)benzimidazole
CID 104963478
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
CID 135139864
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
4-chloro-1-cyclopropyl-5-methylindole
CID 178070666
2-(1-cyclopropyl-6-fluoroindol-4-yl)-6,7-dimethoxy-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938937
2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938860
1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione
CID 22918214
4-fluoro-1-(3-methoxycyclohexyl)indole
CID 113342463
1-(4-methylcyclohexyl)benzimidazol-5-amine
CID 62507500
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole
CID 168756097

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(4-methylcyclohexyl)indole?
The IUPAC name of 4,6-difluoro-1-(4-methylcyclohexyl)indole (CID 118162022) is 4,6-difluoro-1-(4-methylcyclohexyl)indole.
What is the SMILES notation for 4,6-difluoro-1-(4-methylcyclohexyl)indole?
The canonical SMILES for 4,6-difluoro-1-(4-methylcyclohexyl)indole is CC1CCC(n2ccc3c(F)cc(F)cc32)CC1.
What is the InChIKey of 4,6-difluoro-1-(4-methylcyclohexyl)indole?
The InChIKey is HKQZLLTWGRRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N/c1-10-2-4-12(5-3-10)18-7-6-13-14(17)8-11(16)9-15(13)18/h6-10,12H,2-5H2,1H3.
What are the key properties of 4,6-difluoro-1-(4-methylcyclohexyl)indole?
4,6-difluoro-1-(4-methylcyclohexyl)indole has a molecular weight of 249.30 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(4-methylcyclohexyl)indole is sourced from PubChem (CID 118162022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).