(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine

C10H12FNO — CID 78961066

IUPAC(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(F)c2c1[C@@H](N)CCO2
InChIInChI=1S/C10H12FNO/c1-6-2-3-7(11)10-9(6)8(12)4-5-13-10/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1
InChIKeyQXPUORGAGNBPHC-QMMMGPOBSA-N
MW181.21 g/mol
LogP1.92
Rot. Bonds

About (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine

(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 78961066) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID78961066
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(F)c2c1[C@@H](N)CCO2
InChIInChI=1S/C10H12FNO/c1-6-2-3-7(11)10-9(6)8(12)4-5-13-10/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1
InChIKeyQXPUORGAGNBPHC-QMMMGPOBSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine (CID 78961066) is (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(F)c2c1[C@@H](N)CCO2.
What is the InChIKey of (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QXPUORGAGNBPHC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-2-3-7(11)10-9(6)8(12)4-5-13-10/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 78961066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).