6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid

C10H9FO3 — CID 53213710

IUPAC6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccc(F)cc2C1
InChIInChI=1S/C10H9FO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13)
InChIKeyPOJZDZQAEYSLOK-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.46
Rot. Bonds1

About 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid

6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 53213710) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID53213710
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccc(F)cc2C1
InChIInChI=1S/C10H9FO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13)
InChIKeyPOJZDZQAEYSLOK-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 53213710) is 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1COc2ccc(F)cc2C1.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is POJZDZQAEYSLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13).
What are the key properties of 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 196.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 53213710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).