(1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

C12H12FN — CID 57328315

IUPAC(1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN[C@H]1c2ccccc2C[C@@H]1[18F]
InChIInChI=1S/C12H12FN/c1-2-7-14-12-10-6-4-3-5-9(10)8-11(12)13/h1,3-6,11-12,14H,7-8H2/t11-,12-/m0/s1/i13-1
InChIKeyNYDFHNRLRLOAGB-HWBCFACGSA-N
MW188.24 g/mol
LogP1.84
Rot. Bonds2

About (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

(1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 57328315) has the molecular formula C12H12FN and a molecular weight of 188.24 g/mol. Its IUPAC name is (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID57328315
Molecular FormulaC12H12FN
Molecular Weight188.24 g/mol
Exact Mass188.10
IUPAC Name(1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN[C@H]1c2ccccc2C[C@@H]1[18F]
InChIInChI=1S/C12H12FN/c1-2-7-14-12-10-6-4-3-5-9(10)8-11(12)13/h1,3-6,11-12,14H,7-8H2/t11-,12-/m0/s1/i13-1
InChIKeyNYDFHNRLRLOAGB-HWBCFACGSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 57328315) is (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCN[C@H]1c2ccccc2C[C@@H]1[18F].
What is the InChIKey of (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NYDFHNRLRLOAGB-HWBCFACGSA-N. The full InChI is InChI=1S/C12H12FN/c1-2-7-14-12-10-6-4-3-5-9(10)8-11(12)13/h1,3-6,11-12,14H,7-8H2/t11-,12-/m0/s1/i13-1.
What are the key properties of (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
(1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 188.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(18F)fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 57328315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).