3-tert-butyl-1-cyclopentyl-5-fluoroindole

C17H22FN — CID 137421345

IUPAC3-tert-butyl-1-cyclopentyl-5-fluoroindole
SMILESCC(C)(C)c1cn(C2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C17H22FN/c1-17(2,3)15-11-19(13-6-4-5-7-13)16-9-8-12(18)10-14(15)16/h8-11,13H,4-7H2,1-3H3
InChIKeyRLOUATNMVAHVGU-UHFFFAOYSA-N
MW259.37 g/mol
LogP5.19
Rot. Bonds1

About 3-tert-butyl-1-cyclopentyl-5-fluoroindole

3-tert-butyl-1-cyclopentyl-5-fluoroindole (PubChem CID 137421345) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-5-fluoroindole.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-5-fluoroindole
PubChem CID137421345
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name3-tert-butyl-1-cyclopentyl-5-fluoroindole
SMILESCC(C)(C)c1cn(C2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C17H22FN/c1-17(2,3)15-11-19(13-6-4-5-7-13)16-9-8-12(18)10-14(15)16/h8-11,13H,4-7H2,1-3H3
InChIKeyRLOUATNMVAHVGU-UHFFFAOYSA-N
XLogP5.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-1-cyclopentyl-5-fluoroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
4-(1-cyclohexyl-5-fluoroindol-3-yl)-3-(5-fluoro-1-methylindol-3-yl)-1H-1,2,4-triazol-5-one
CID 142029456
5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole
CID 168939774
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338
1-(5-cyclopentyl-1,2,5-thiadiazinan-2-yl)-3-(3,6-difluorocarbazol-9-yl)-2-methylpropan-2-ol
CID 135284911
4-N-[3-cyclohexyl-3-(1-cyclohexyl-5-fluoroindol-3-yl)propyl]cyclohexane-1,4-diamine
CID 158062201
1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;1,4-diazepane
CID 142119061
tert-butyl 3-(3-chloro-5-fluoroindol-1-yl)azetidine-1-carboxylate
CID 142381652
1-cyclopropyl-3-(trifluoromethyl)indole
CID 130220200
3-(1,1-difluoroethyl)-5-fluoro-1-[1-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]azetidin-3-yl]indole
CID 162608392
5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
CID 46880658

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentyl-5-fluoroindole?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-5-fluoroindole (CID 137421345) is 3-tert-butyl-1-cyclopentyl-5-fluoroindole.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-5-fluoroindole?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-5-fluoroindole is CC(C)(C)c1cn(C2CCCC2)c2ccc(F)cc12.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-5-fluoroindole?
The InChIKey is RLOUATNMVAHVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-17(2,3)15-11-19(13-6-4-5-7-13)16-9-8-12(18)10-14(15)16/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-1-cyclopentyl-5-fluoroindole?
3-tert-butyl-1-cyclopentyl-5-fluoroindole has a molecular weight of 259.37 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentyl-5-fluoroindole is sourced from PubChem (CID 137421345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).