(2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide

C10H10F3O4P — CID 10062280

IUPAC(2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=[P@]1(OCC(F)(F)F)OC[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H10F3O4P/c11-10(12,13)7-16-18(14)15-6-9(17-18)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,18+/m0/s1
InChIKeyMLYAMHYSIJTKHA-NIVTXAMTSA-N
MW282.15 g/mol
LogP3.46
Rot. Bonds3

About (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide

(2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 10062280) has the molecular formula C10H10F3O4P and a molecular weight of 282.15 g/mol. Its IUPAC name is (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name(2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID10062280
Molecular FormulaC10H10F3O4P
Molecular Weight282.15 g/mol
Exact Mass282.03
IUPAC Name(2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=[P@]1(OCC(F)(F)F)OC[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H10F3O4P/c11-10(12,13)7-16-18(14)15-6-9(17-18)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,18+/m0/s1
InChIKeyMLYAMHYSIJTKHA-NIVTXAMTSA-N
XLogP3.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide (CID 10062280) is (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide is O=[P@]1(OCC(F)(F)F)OC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is MLYAMHYSIJTKHA-NIVTXAMTSA-N. The full InChI is InChI=1S/C10H10F3O4P/c11-10(12,13)7-16-18(14)15-6-9(17-18)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,18+/m0/s1.
What are the key properties of (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
(2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 282.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 10062280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).