(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine

C17H16F3NO2 — CID 126702076

IUPAC(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc(OC)c(F)c(-c2ccc(F)c3c2CC[C@H]3N)c1F
InChIInChI=1S/C17H16F3NO2/c1-22-12-7-13(23-2)17(20)15(16(12)19)9-3-5-10(18)14-8(9)4-6-11(14)21/h3,5,7,11H,4,6,21H2,1-2H3/t11-/m1/s1
InChIKeyLLGQUUYBZXHXIQ-LLVKDONJSA-N
MW323.31 g/mol
LogP3.73
Rot. Bonds3

About (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine

(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 126702076) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID126702076
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc(OC)c(F)c(-c2ccc(F)c3c2CC[C@H]3N)c1F
InChIInChI=1S/C17H16F3NO2/c1-22-12-7-13(23-2)17(20)15(16(12)19)9-3-5-10(18)14-8(9)4-6-11(14)21/h3,5,7,11H,4,6,21H2,1-2H3/t11-/m1/s1
InChIKeyLLGQUUYBZXHXIQ-LLVKDONJSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine (CID 126702076) is (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine is COc1cc(OC)c(F)c(-c2ccc(F)c3c2CC[C@H]3N)c1F.
What is the InChIKey of (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LLGQUUYBZXHXIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-22-12-7-13(23-2)17(20)15(16(12)19)9-3-5-10(18)14-8(9)4-6-11(14)21/h3,5,7,11H,4,6,21H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine?
(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 323.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126702076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).