7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole

C18H25BrFN — CID 106986130

IUPAC7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCC(C2CNc3c(Br)cc(F)cc32)CC1
InChIInChI=1S/C18H25BrFN/c1-18(2,3)12-6-4-11(5-7-12)15-10-21-17-14(15)8-13(20)9-16(17)19/h8-9,11-12,15,21H,4-7,10H2,1-3H3
InChIKeyBRNQHPWRYYYXLQ-UHFFFAOYSA-N
MW354.31 g/mol
LogP5.95
Rot. Bonds1

About 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole

7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole (PubChem CID 106986130) has the molecular formula C18H25BrFN and a molecular weight of 354.31 g/mol. Its IUPAC name is 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole
PubChem CID106986130
Molecular FormulaC18H25BrFN
Molecular Weight354.31 g/mol
Exact Mass353.12
IUPAC Name7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCC(C2CNc3c(Br)cc(F)cc32)CC1
InChIInChI=1S/C18H25BrFN/c1-18(2,3)12-6-4-11(5-7-12)15-10-21-17-14(15)8-13(20)9-16(17)19/h8-9,11-12,15,21H,4-7,10H2,1-3H3
InChIKeyBRNQHPWRYYYXLQ-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.31
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820253
N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine
CID 65089523
7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986994
7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986588
N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
CID 28523701
5-bromo-2-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84644577
5,7-difluoro-3-methyl-2,3-dihydro-1H-indole
CID 106986066
1-bromo-4-[bromo-(4-tert-butylcyclohexyl)methyl]-2-chloro-5-fluorobenzene
CID 105400029
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 154010858
3-tert-butyl-5,7,8-trifluoro-1,2,3,4-tetrahydroquinoline
CID 63386242
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole (CID 106986130) is 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole is CC(C)(C)C1CCC(C2CNc3c(Br)cc(F)cc32)CC1.
What is the InChIKey of 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole?
The InChIKey is BRNQHPWRYYYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFN/c1-18(2,3)12-6-4-11(5-7-12)15-10-21-17-14(15)8-13(20)9-16(17)19/h8-9,11-12,15,21H,4-7,10H2,1-3H3.
What are the key properties of 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole?
7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole has a molecular weight of 354.31 g/mol, XLogP of 5.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).