[3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium

C10H11F3O2P+ — CID 66796448

IUPAC[3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium
SMILESCCc1cccc([P+](=O)O)c1CC(F)(F)F
InChIInChI=1S/C10H10F3O2P/c1-2-7-4-3-5-9(16(14)15)8(7)6-10(11,12)13/h3-5H,2,6H2,1H3/p+1
InChIKeyXNOWPJZGUXTRNP-UHFFFAOYSA-O
MW251.16 g/mol
LogP2.71
Rot. Bonds3

About [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium

[3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium (PubChem CID 66796448) has the molecular formula C10H11F3O2P+ and a molecular weight of 251.16 g/mol. Its IUPAC name is [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium
PubChem CID66796448
Molecular FormulaC10H11F3O2P+
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name[3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium
SMILESCCc1cccc([P+](=O)O)c1CC(F)(F)F
InChIInChI=1S/C10H10F3O2P/c1-2-7-4-3-5-9(16(14)15)8(7)6-10(11,12)13/h3-5H,2,6H2,1H3/p+1
InChIKeyXNOWPJZGUXTRNP-UHFFFAOYSA-O
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium?
The IUPAC name of [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium (CID 66796448) is [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium?
The canonical SMILES for [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium is CCc1cccc([P+](=O)O)c1CC(F)(F)F.
What is the InChIKey of [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium?
The InChIKey is XNOWPJZGUXTRNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F3O2P/c1-2-7-4-3-5-9(16(14)15)8(7)6-10(11,12)13/h3-5H,2,6H2,1H3/p+1.
What are the key properties of [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium?
[3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium has a molecular weight of 251.16 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-(2,2,2-trifluoroethyl)phenyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 66796448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).