(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine

C9H9BrFN — CID 130713599

IUPAC(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2ccc(F)c(Br)c21
InChIInChI=1S/C9H9BrFN/c10-9-6(11)3-1-5-2-4-7(12)8(5)9/h1,3,7H,2,4,12H2/t7-/m0/s1
InChIKeySPRXNVVDGDBEOI-ZETCQYMHSA-N
MW230.08 g/mol
LogP2.53
Rot. Bonds

About (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine

(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 130713599) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID130713599
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2ccc(F)c(Br)c21
InChIInChI=1S/C9H9BrFN/c10-9-6(11)3-1-5-2-4-7(12)8(5)9/h1,3,7H,2,4,12H2/t7-/m0/s1
InChIKeySPRXNVVDGDBEOI-ZETCQYMHSA-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

Analyze (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 77181867
(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130816434
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131151177
(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 131071329
(1R)-6-methyl-2,3-dihydro-1H-indene-1,7-diamine
CID 130682325
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130645514
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine (CID 130713599) is (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2ccc(F)c(Br)c21.
What is the InChIKey of (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SPRXNVVDGDBEOI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-9-6(11)3-1-5-2-4-7(12)8(5)9/h1,3,7H,2,4,12H2/t7-/m0/s1.
What are the key properties of (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S)-7-bromo-6-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 (1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130713599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).