6-fluoro-2,3,4a,5-tetrahydrochromen-4-one

C9H9FO2 — CID 151463551

IUPAC6-fluoro-2,3,4a,5-tetrahydrochromen-4-one
SMILESO=C1CCOC2=CC=C(F)CC12
InChIInChI=1S/C9H9FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,7H,3-5H2
InChIKeyPIZBUCOJUZSJMA-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.73
Rot. Bonds

About 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one

6-fluoro-2,3,4a,5-tetrahydrochromen-4-one (PubChem CID 151463551) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-2,3,4a,5-tetrahydrochromen-4-one
PubChem CID151463551
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name6-fluoro-2,3,4a,5-tetrahydrochromen-4-one
SMILESO=C1CCOC2=CC=C(F)CC12
InChIInChI=1S/C9H9FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,7H,3-5H2
InChIKeyPIZBUCOJUZSJMA-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one 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-fluoro-2,3,4a,5-tetrahydrochromen-4-one?
The IUPAC name of 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one (CID 151463551) is 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one.
What is the SMILES notation for 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one?
The canonical SMILES for 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one is O=C1CCOC2=CC=C(F)CC12.
What is the InChIKey of 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one?
The InChIKey is PIZBUCOJUZSJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,7H,3-5H2.
What are the key properties of 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one?
6-fluoro-2,3,4a,5-tetrahydrochromen-4-one has a molecular weight of 168.17 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,4a,5-tetrahydrochromen-4-one is sourced from PubChem (CID 151463551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).