(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine

C9H9BrFN — CID 66799240

IUPAC(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C9H9BrFN/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9H,1-2,12H2/t9-/m1/s1
InChIKeyGQUXKZDCZSWEDG-SECBINFHSA-N
MW230.08 g/mol
LogP2.53
Rot. Bonds

About (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine

(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 66799240) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID66799240
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C9H9BrFN/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9H,1-2,12H2/t9-/m1/s1
InChIKeyGQUXKZDCZSWEDG-SECBINFHSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 66799240) is (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine is N[C@@H]1CCc2c(F)cc(Br)cc21.
What is the InChIKey of (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GQUXKZDCZSWEDG-SECBINFHSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9H,1-2,12H2/t9-/m1/s1.
What are the key properties of (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine?
(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 230.08 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 66799240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).