4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid

C10H10FNO3 — CID 13298591

IUPAC4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO3/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyFATKFOJBJPZZED-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.85
Rot. Bonds1

About 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid

4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid (PubChem CID 13298591) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid
PubChem CID13298591
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO3/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyFATKFOJBJPZZED-UHFFFAOYSA-N
XLogP0.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
The IUPAC name of 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid (CID 13298591) is 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid.
What is the SMILES notation for 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
The canonical SMILES for 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid is NC1(C(=O)O)CCOc2ccc(F)cc21.
What is the InChIKey of 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
The InChIKey is FATKFOJBJPZZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4,12H2,(H,13,14).
What are the key properties of 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid has a molecular weight of 211.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid is sourced from PubChem (CID 13298591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).