2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole

C16H15F2N — CID 5023223

IUPAC2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1cc(F)ccc1F)C2
InChIInChI=1S/C16H15F2N/c1-2-10-4-3-5-11-8-15(19-16(10)11)13-9-12(17)6-7-14(13)18/h3-7,9,15,19H,2,8H2,1H3
InChIKeySFZRCLYDGKWTFC-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.24
Rot. Bonds2

About 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole

2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole (PubChem CID 5023223) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole
PubChem CID5023223
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1cc(F)ccc1F)C2
InChIInChI=1S/C16H15F2N/c1-2-10-4-3-5-11-8-15(19-16(10)11)13-9-12(17)6-7-14(13)18/h3-7,9,15,19H,2,8H2,1H3
InChIKeySFZRCLYDGKWTFC-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole (CID 5023223) is 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole is CCc1cccc2c1NC(c1cc(F)ccc1F)C2.
What is the InChIKey of 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The InChIKey is SFZRCLYDGKWTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-2-10-4-3-5-11-8-15(19-16(10)11)13-9-12(17)6-7-14(13)18/h3-7,9,15,19H,2,8H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole has a molecular weight of 259.30 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 5023223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).