(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one

C12H10F4O4 — CID 744444

IUPAC(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
SMILESCOc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)F)CC2=O
InChIInChI=1S/C12H10F4O4/c1-19-6-2-3-7-8(17)5-11(18,20-9(7)4-6)12(15,16)10(13)14/h2-4,10,18H,5H2,1H3/t11-/m1/s1
InChIKeyAOLCPXRGICDDCR-LLVKDONJSA-N
MW294.20 g/mol
LogP2.25
Rot. Bonds3

About (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one

(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one (PubChem CID 744444) has the molecular formula C12H10F4O4 and a molecular weight of 294.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
PubChem CID744444
Molecular FormulaC12H10F4O4
Molecular Weight294.20 g/mol
Exact Mass294.05
IUPAC Name(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
SMILESCOc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)F)CC2=O
InChIInChI=1S/C12H10F4O4/c1-19-6-2-3-7-8(17)5-11(18,20-9(7)4-6)12(15,16)10(13)14/h2-4,10,18H,5H2,1H3/t11-/m1/s1
InChIKeyAOLCPXRGICDDCR-LLVKDONJSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one?
The IUPAC name of (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one (CID 744444) is (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one.
What is the SMILES notation for (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one?
The canonical SMILES for (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one is COc1ccc2c(c1)O[C@@](O)(C(F)(F)C(F)F)CC2=O.
What is the InChIKey of (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one?
The InChIKey is AOLCPXRGICDDCR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10F4O4/c1-19-6-2-3-7-8(17)5-11(18,20-9(7)4-6)12(15,16)10(13)14/h2-4,10,18H,5H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one?
(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one has a molecular weight of 294.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one is sourced from PubChem (CID 744444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).