2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole

C14H16F3N — CID 4019541

IUPAC2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1cccc2c1NC(C1CCCC1)C2
InChIInChI=1S/C14H16F3N/c15-14(16,17)11-7-3-6-10-8-12(18-13(10)11)9-4-1-2-5-9/h3,6-7,9,12,18H,1-2,4-5,8H2
InChIKeyLELXLPJYYDOXNS-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.23
Rot. Bonds1

About 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole

2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 4019541) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID4019541
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1cccc2c1NC(C1CCCC1)C2
InChIInChI=1S/C14H16F3N/c15-14(16,17)11-7-3-6-10-8-12(18-13(10)11)9-4-1-2-5-9/h3,6-7,9,12,18H,1-2,4-5,8H2
InChIKeyLELXLPJYYDOXNS-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 4019541) is 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole is FC(F)(F)c1cccc2c1NC(C1CCCC1)C2.
What is the InChIKey of 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is LELXLPJYYDOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)11-7-3-6-10-8-12(18-13(10)11)9-4-1-2-5-9/h3,6-7,9,12,18H,1-2,4-5,8H2.
What are the key properties of 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 255.28 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4019541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).