1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole

C23H24F3N — CID 174559191

IUPAC1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1cccc(-c2ccc3c(ccn3CCCC3CCCC3)c2)c1
InChIInChI=1S/C23H24F3N/c24-23(25,26)21-9-3-8-18(16-21)19-10-11-22-20(15-19)12-14-27(22)13-4-7-17-5-1-2-6-17/h3,8-12,14-17H,1-2,4-7,13H2
InChIKeyOXFYODYYUHTSRM-UHFFFAOYSA-N
MW371.45 g/mol
LogP7.30
Rot. Bonds5

About 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole

1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole (PubChem CID 174559191) has the molecular formula C23H24F3N and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole
PubChem CID174559191
Molecular FormulaC23H24F3N
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1cccc(-c2ccc3c(ccn3CCCC3CCCC3)c2)c1
InChIInChI=1S/C23H24F3N/c24-23(25,26)21-9-3-8-18(16-21)19-10-11-22-20(15-19)12-14-27(22)13-4-7-17-5-1-2-6-17/h3,8-12,14-17H,1-2,4-7,13H2
InChIKeyOXFYODYYUHTSRM-UHFFFAOYSA-N
XLogP7.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.45
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole (CID 174559191) is 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole is FC(F)(F)c1cccc(-c2ccc3c(ccn3CCCC3CCCC3)c2)c1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole?
The InChIKey is OXFYODYYUHTSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N/c24-23(25,26)21-9-3-8-18(16-21)19-10-11-22-20(15-19)12-14-27(22)13-4-7-17-5-1-2-6-17/h3,8-12,14-17H,1-2,4-7,13H2.
What are the key properties of 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole?
1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole has a molecular weight of 371.45 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 174559191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).