[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium

C8H8F2O3P+ — CID 175430869

IUPAC[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCc1ccc(C(F)F)cc1
InChIInChI=1S/C8H7F2O3P/c9-8(10)7-3-1-6(2-4-7)5-13-14(11)12/h1-4,8H,5H2/p+1
InChIKeySLWUARRVWMFLTI-UHFFFAOYSA-O
MW221.12 g/mol
LogP2.79
Rot. Bonds4

About [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium

[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium (PubChem CID 175430869) has the molecular formula C8H8F2O3P+ and a molecular weight of 221.12 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium
PubChem CID175430869
Molecular FormulaC8H8F2O3P+
Molecular Weight221.12 g/mol
Exact Mass221.02
IUPAC Name[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCc1ccc(C(F)F)cc1
InChIInChI=1S/C8H7F2O3P/c9-8(10)7-3-1-6(2-4-7)5-13-14(11)12/h1-4,8H,5H2/p+1
InChIKeySLWUARRVWMFLTI-UHFFFAOYSA-O
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium?
The IUPAC name of [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium (CID 175430869) is [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium?
The canonical SMILES for [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium is O=[P+](O)OCc1ccc(C(F)F)cc1.
What is the InChIKey of [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium?
The InChIKey is SLWUARRVWMFLTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7F2O3P/c9-8(10)7-3-1-6(2-4-7)5-13-14(11)12/h1-4,8H,5H2/p+1.
What are the key properties of [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium?
[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium has a molecular weight of 221.12 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175430869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).