(2-fluorophenyl)methyl-hydroxy-oxophosphanium

C7H7FO2P+ — CID 67591657

IUPAC(2-fluorophenyl)methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1ccccc1F
InChIInChI=1S/C7H6FO2P/c8-7-4-2-1-3-6(7)5-11(9)10/h1-4H,5H2/p+1
InChIKeyCCTXBGUMZKXOFL-UHFFFAOYSA-O
MW173.10 g/mol
LogP2.06
Rot. Bonds2

About (2-fluorophenyl)methyl-hydroxy-oxophosphanium

(2-fluorophenyl)methyl-hydroxy-oxophosphanium (PubChem CID 67591657) has the molecular formula C7H7FO2P+ and a molecular weight of 173.10 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-hydroxy-oxophosphanium
PubChem CID67591657
Molecular FormulaC7H7FO2P+
Molecular Weight173.10 g/mol
Exact Mass173.02
IUPAC Name(2-fluorophenyl)methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1ccccc1F
InChIInChI=1S/C7H6FO2P/c8-7-4-2-1-3-6(7)5-11(9)10/h1-4H,5H2/p+1
InChIKeyCCTXBGUMZKXOFL-UHFFFAOYSA-O
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.10
LogP ≤ 52.06
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 (2-fluorophenyl)methyl-hydroxy-oxophosphanium?
The IUPAC name of (2-fluorophenyl)methyl-hydroxy-oxophosphanium (CID 67591657) is (2-fluorophenyl)methyl-hydroxy-oxophosphanium.
What is the SMILES notation for (2-fluorophenyl)methyl-hydroxy-oxophosphanium?
The canonical SMILES for (2-fluorophenyl)methyl-hydroxy-oxophosphanium is O=[P+](O)Cc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl-hydroxy-oxophosphanium?
The InChIKey is CCTXBGUMZKXOFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6FO2P/c8-7-4-2-1-3-6(7)5-11(9)10/h1-4H,5H2/p+1.
What are the key properties of (2-fluorophenyl)methyl-hydroxy-oxophosphanium?
(2-fluorophenyl)methyl-hydroxy-oxophosphanium has a molecular weight of 173.10 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 67591657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).