6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid

C10H8ClFO3 — CID 103351509

IUPAC6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2c(F)cc(Cl)cc2C1
InChIInChI=1S/C10H8ClFO3/c11-7-2-5-1-6(10(13)14)4-15-9(5)8(12)3-7/h2-3,6H,1,4H2,(H,13,14)
InChIKeyBJXJLHQYCDLZFI-UHFFFAOYSA-N
MW230.62 g/mol
LogP2.11
Rot. Bonds1

About 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid

6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 103351509) has the molecular formula C10H8ClFO3 and a molecular weight of 230.62 g/mol. Its IUPAC name is 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID103351509
Molecular FormulaC10H8ClFO3
Molecular Weight230.62 g/mol
Exact Mass230.01
IUPAC Name6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2c(F)cc(Cl)cc2C1
InChIInChI=1S/C10H8ClFO3/c11-7-2-5-1-6(10(13)14)4-15-9(5)8(12)3-7/h2-3,6H,1,4H2,(H,13,14)
InChIKeyBJXJLHQYCDLZFI-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.62
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid 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 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 103351509) is 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1COc2c(F)cc(Cl)cc2C1.
What is the InChIKey of 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is BJXJLHQYCDLZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO3/c11-7-2-5-1-6(10(13)14)4-15-9(5)8(12)3-7/h2-3,6H,1,4H2,(H,13,14).
What are the key properties of 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 230.62 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 103351509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).