3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole

C18H24FN — CID 106985289

IUPAC3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole
SMILESCC(C)(C)C1CCC(c2c[nH]c3c(F)cccc23)CC1
InChIInChI=1S/C18H24FN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h4-6,11-13,20H,7-10H2,1-3H3
InChIKeyMUMNTCXMNVNNRS-UHFFFAOYSA-N
MW273.39 g/mol
LogP5.63
Rot. Bonds1

About 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole

3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole (PubChem CID 106985289) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole
PubChem CID106985289
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC Name3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole
SMILESCC(C)(C)C1CCC(c2c[nH]c3c(F)cccc23)CC1
InChIInChI=1S/C18H24FN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h4-6,11-13,20H,7-10H2,1-3H3
InChIKeyMUMNTCXMNVNNRS-UHFFFAOYSA-N
XLogP5.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.39
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-bromo-3-(4-tert-butylcyclohexyl)-1H-indole
CID 106985296
3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole
CID 106985287
7-methyl-3-(4-methylcyclohexyl)-1H-indole
CID 106985057
3-cyclopentyl-7-methyl-1H-indole
CID 106985483
7-bromo-3-(4-methylcyclohexyl)-1H-indole
CID 106985061
(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24886833
7-fluoro-3-methyl-1H-indole
CID 55287812
5-bromo-3-cyclopropyl-7-fluoro-1H-indole
CID 130050134
3-(7-fluoro-1H-indol-3-yl)cyclohexane-1,2,4,5-tetrone
CID 91058052
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole
CID 118448997
7-methyl-3-(3-methylcyclopentyl)-1H-indole
CID 106985330
trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 67290266

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole?
The IUPAC name of 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole (CID 106985289) is 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole.
What is the SMILES notation for 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole?
The canonical SMILES for 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole is CC(C)(C)C1CCC(c2c[nH]c3c(F)cccc23)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole?
The InChIKey is MUMNTCXMNVNNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h4-6,11-13,20H,7-10H2,1-3H3.
What are the key properties of 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole?
3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole has a molecular weight of 273.39 g/mol, XLogP of 5.63, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexyl)-7-fluoro-1H-indole is sourced from PubChem (CID 106985289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).