(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one

C11H10F2O4 — CID 871802

IUPAC(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C[C@](O)(C(F)F)O2
InChIInChI=1S/C11H10F2O4/c1-16-6-2-3-9-7(4-6)8(14)5-11(15,17-9)10(12)13/h2-4,10,15H,5H2,1H3/t11-/m1/s1
InChIKeyQODJXMCLPVAXSU-LLVKDONJSA-N
MW244.19 g/mol
LogP1.61
Rot. Bonds2

About (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one

(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one (PubChem CID 871802) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one.

Molecular Properties

Compound Name(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
PubChem CID871802
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C[C@](O)(C(F)F)O2
InChIInChI=1S/C11H10F2O4/c1-16-6-2-3-9-7(4-6)8(14)5-11(15,17-9)10(12)13/h2-4,10,15H,5H2,1H3/t11-/m1/s1
InChIKeyQODJXMCLPVAXSU-LLVKDONJSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one
CID 691652
6-methoxy-1'-(2,2,2-trifluoroacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768625
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
CID 114673827
6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
CID 114673953
2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
CID 114673860
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-(2-chloropropanoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746453
6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114673893
6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
CID 67986565
2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
CID 2849054
(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
CID 744444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one?
The IUPAC name of (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one (CID 871802) is (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one.
What is the SMILES notation for (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one?
The canonical SMILES for (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one is COc1ccc2c(c1)C(=O)C[C@](O)(C(F)F)O2.
What is the InChIKey of (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one?
The InChIKey is QODJXMCLPVAXSU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10F2O4/c1-16-6-2-3-9-7(4-6)8(14)5-11(15,17-9)10(12)13/h2-4,10,15H,5H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one?
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one has a molecular weight of 244.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one is sourced from PubChem (CID 871802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).