(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine

C9H9FIN — CID 130871328

IUPAC(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c1ccc(F)c2I
InChIInChI=1S/C9H9FIN/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2/t8-/m0/s1
InChIKeyJNYXWISLILJZGF-QMMMGPOBSA-N
MW277.08 g/mol
LogP2.38
Rot. Bonds

About (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine

(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine (PubChem CID 130871328) has the molecular formula C9H9FIN and a molecular weight of 277.08 g/mol. Its IUPAC name is (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
PubChem CID130871328
Molecular FormulaC9H9FIN
Molecular Weight277.08 g/mol
Exact Mass276.98
IUPAC Name(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c1ccc(F)c2I
InChIInChI=1S/C9H9FIN/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2/t8-/m0/s1
InChIKeyJNYXWISLILJZGF-QMMMGPOBSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (1S)-5-fluoro-4-iodo-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

(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632392
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
5-fluoro-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55294576
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
(1R)-6-fluoro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130740875
(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131122901
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131613298
8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
CID 19348211
[(5R)-5-amino-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
CID 130701464
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
(1R)-4-fluoro-2,3-dihydro-1H-indene-1,6-diamine
CID 55275275

Frequently Asked Questions

What is the IUPAC name of (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine (CID 130871328) is (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2c1ccc(F)c2I.
What is the InChIKey of (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JNYXWISLILJZGF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9FIN/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2/t8-/m0/s1.
What are the key properties of (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine?
(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.08 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130871328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).