(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride

C10H11ClFNO3 — CID 171252439

IUPAC(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCOc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C10H10FNO3.ClH/c11-5-3-6-8(12)1-2-15-9(6)7(4-5)10(13)14;/h3-4,8H,1-2,12H2,(H,13,14);1H/t8-;/m1./s1
InChIKeyMCTIBGVRZLUJFX-DDWIOCJRSA-N
MW247.65 g/mol
LogP1.73
Rot. Bonds1

About (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride

(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride (PubChem CID 171252439) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride
PubChem CID171252439
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCOc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C10H10FNO3.ClH/c11-5-3-6-8(12)1-2-15-9(6)7(4-5)10(13)14;/h3-4,8H,1-2,12H2,(H,13,14);1H/t8-;/m1./s1
InChIKeyMCTIBGVRZLUJFX-DDWIOCJRSA-N
XLogP1.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride 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 (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride?
The IUPAC name of (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride (CID 171252439) is (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride.
What is the SMILES notation for (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride?
The canonical SMILES for (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride is Cl.N[C@@H]1CCOc2c(C(=O)O)cc(F)cc21.
What is the InChIKey of (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride?
The InChIKey is MCTIBGVRZLUJFX-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10FNO3.ClH/c11-5-3-6-8(12)1-2-15-9(6)7(4-5)10(13)14;/h3-4,8H,1-2,12H2,(H,13,14);1H/t8-;/m1./s1.
What are the key properties of (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride?
(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride has a molecular weight of 247.65 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 171252439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).