(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one

C11H10F2O4 — CID 691652

IUPAC(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one
SMILESCOc1ccc2c(c1)O[C@@](O)(C(F)F)CC2=O
InChIInChI=1S/C11H10F2O4/c1-16-6-2-3-7-8(14)5-11(15,10(12)13)17-9(7)4-6/h2-4,10,15H,5H2,1H3/t11-/m1/s1
InChIKeyIOHMZHGQYXEGIE-LLVKDONJSA-N
MW244.19 g/mol
LogP1.61
Rot. Bonds2

About (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one

(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one (PubChem CID 691652) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one.

Molecular Properties

Compound Name(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one
PubChem CID691652
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one
SMILESCOc1ccc2c(c1)O[C@@](O)(C(F)F)CC2=O
InChIInChI=1S/C11H10F2O4/c1-16-6-2-3-7-8(14)5-11(15,10(12)13)17-9(7)4-6/h2-4,10,15H,5H2,1H3/t11-/m1/s1
InChIKeyIOHMZHGQYXEGIE-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-6-methoxy-3H-chromen-4-one
CID 871802
(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
CID 744444
2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
CID 2849054
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114672412
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
CID 150532948
7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
CID 114672414
6-methoxy-1-benzofuran-3-one
CID 585368
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 106875112
2,2-dibromo-6-methoxy-1-benzofuran-3-one
CID 5325532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one?
The IUPAC name of (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one (CID 691652) is (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one.
What is the SMILES notation for (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one?
The canonical SMILES for (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one is COc1ccc2c(c1)O[C@@](O)(C(F)F)CC2=O.
What is the InChIKey of (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one?
The InChIKey is IOHMZHGQYXEGIE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10F2O4/c1-16-6-2-3-7-8(14)5-11(15,10(12)13)17-9(7)4-6/h2-4,10,15H,5H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one?
(2R)-2-(difluoromethyl)-2-hydroxy-7-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-7-methoxy-3H-chromen-4-one is sourced from PubChem (CID 691652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).