(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one

C9H8FNO — CID 98010345

IUPAC(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
SMILESN[C@H]1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C9H8FNO/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,8H,4,11H2/t8-/m0/s1
InChIKeyBXTGHSNLMJXKFW-QMMMGPOBSA-N
MW165.17 g/mol
LogP0.89
Rot. Bonds

About (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one

(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one (PubChem CID 98010345) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
PubChem CID98010345
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
SMILESN[C@H]1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C9H8FNO/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,8H,4,11H2/t8-/m0/s1
InChIKeyBXTGHSNLMJXKFW-QMMMGPOBSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one 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

2-chloro-5-fluoro-2,3-dihydroinden-1-one
CID 116531382
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
CID 175010012
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methylbenzamide
CID 134118733
(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
CID 162342276
2-amino-6-methyl-2,3-dihydroinden-1-one
CID 24973373
6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19861924
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 134115833
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide
CID 134106187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one (CID 98010345) is (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one is N[C@H]1Cc2cc(F)ccc2C1=O.
What is the InChIKey of (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one?
The InChIKey is BXTGHSNLMJXKFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8FNO/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,8H,4,11H2/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one?
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one has a molecular weight of 165.17 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 98010345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).