(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol

C9H8F2O2 — CID 75356582

IUPAC(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2c(F)cc(F)cc21
InChIInChI=1S/C9H8F2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4,8,12H,1-2H2/t8-/m1/s1
InChIKeyYIYJSJWWXNXVNN-MRVPVSSYSA-N
MW186.16 g/mol
LogP1.78
Rot. Bonds

About (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 75356582) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID75356582
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2c(F)cc(F)cc21
InChIInChI=1S/C9H8F2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4,8,12H,1-2H2/t8-/m1/s1
InChIKeyYIYJSJWWXNXVNN-MRVPVSSYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol 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 (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol (CID 75356582) is (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CCOc2c(F)cc(F)cc21.
What is the InChIKey of (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YIYJSJWWXNXVNN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4,8,12H,1-2H2/t8-/m1/s1.
What are the key properties of (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 186.16 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 75356582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).