5-fluoro-1-[1-(3-fluorophenyl)propyl]indole

C17H15F2N — CID 174528238

IUPAC5-fluoro-1-[1-(3-fluorophenyl)propyl]indole
SMILESCCC(c1cccc(F)c1)n1ccc2cc(F)ccc21
InChIInChI=1S/C17H15F2N/c1-2-16(12-4-3-5-14(18)10-12)20-9-8-13-11-15(19)6-7-17(13)20/h3-11,16H,2H2,1H3
InChIKeyKLHJIJMAFMKNNN-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.92
Rot. Bonds3

About 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole

5-fluoro-1-[1-(3-fluorophenyl)propyl]indole (PubChem CID 174528238) has the molecular formula C17H15F2N and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole.

Molecular Properties

Compound Name5-fluoro-1-[1-(3-fluorophenyl)propyl]indole
PubChem CID174528238
Molecular FormulaC17H15F2N
Molecular Weight271.31 g/mol
Exact Mass271.12
IUPAC Name5-fluoro-1-[1-(3-fluorophenyl)propyl]indole
SMILESCCC(c1cccc(F)c1)n1ccc2cc(F)ccc21
InChIInChI=1S/C17H15F2N/c1-2-16(12-4-3-5-14(18)10-12)20-9-8-13-11-15(19)6-7-17(13)20/h3-11,16H,2H2,1H3
InChIKeyKLHJIJMAFMKNNN-UHFFFAOYSA-N
XLogP4.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole?
The IUPAC name of 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole (CID 174528238) is 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole.
What is the SMILES notation for 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole?
The canonical SMILES for 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole is CCC(c1cccc(F)c1)n1ccc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole?
The InChIKey is KLHJIJMAFMKNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N/c1-2-16(12-4-3-5-14(18)10-12)20-9-8-13-11-15(19)6-7-17(13)20/h3-11,16H,2H2,1H3.
What are the key properties of 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole?
5-fluoro-1-[1-(3-fluorophenyl)propyl]indole has a molecular weight of 271.31 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[1-(3-fluorophenyl)propyl]indole is sourced from PubChem (CID 174528238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).