4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride

C10H11ClFNO3 — CID 162344563

IUPAC4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
SMILESCl.NC1CCOc2c1ccc(C(=O)O)c2F
InChIInChI=1S/C10H10FNO3.ClH/c11-8-6(10(13)14)2-1-5-7(12)3-4-15-9(5)8;/h1-2,7H,3-4,12H2,(H,13,14);1H
InChIKeyUFPBFHWVFKYAMB-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.73
Rot. Bonds1

About 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride

4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride (PubChem CID 162344563) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
PubChem CID162344563
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
SMILESCl.NC1CCOc2c1ccc(C(=O)O)c2F
InChIInChI=1S/C10H10FNO3.ClH/c11-8-6(10(13)14)2-1-5-7(12)3-4-15-9(5)8;/h1-2,7H,3-4,12H2,(H,13,14);1H
InChIKeyUFPBFHWVFKYAMB-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride (CID 162344563) is 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride is Cl.NC1CCOc2c1ccc(C(=O)O)c2F.
What is the InChIKey of 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride?
The InChIKey is UFPBFHWVFKYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3.ClH/c11-8-6(10(13)14)2-1-5-7(12)3-4-15-9(5)8;/h1-2,7H,3-4,12H2,(H,13,14);1H.
What are the key properties of 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride?
4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-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 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 162344563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).