3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine

C17H13F5N2 — CID 166586021

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C17H13F5N2/c18-10-3-1-9(2-4-10)15-13(7-17(21,22)8-23)12-5-11(19)6-14(20)16(12)24-15/h1-6,24H,7-8,23H2
InChIKeyRBPOIIQOAXWKNJ-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.39
Rot. Bonds4

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine (PubChem CID 166586021) has the molecular formula C17H13F5N2 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine
PubChem CID166586021
Molecular FormulaC17H13F5N2
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C17H13F5N2/c18-10-3-1-9(2-4-10)15-13(7-17(21,22)8-23)12-5-11(19)6-14(20)16(12)24-15/h1-6,24H,7-8,23H2
InChIKeyRBPOIIQOAXWKNJ-UHFFFAOYSA-N
XLogP4.39
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine (CID 166586021) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine is NCC(F)(F)Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine?
The InChIKey is RBPOIIQOAXWKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2/c18-10-3-1-9(2-4-10)15-13(7-17(21,22)8-23)12-5-11(19)6-14(20)16(12)24-15/h1-6,24H,7-8,23H2.
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine has a molecular weight of 340.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine is sourced from PubChem (CID 166586021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).