[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium

C20H18F2P+ — CID 175317206

IUPAC[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C(F)F
InChIInChI=1S/C20H18F2P/c1-23(16-10-4-2-5-11-16,17-12-6-3-7-13-17)19-15-9-8-14-18(19)20(21)22/h2-15,20H,1H3/q+1
InChIKeyCRKDQCULSYLZER-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.55
Rot. Bonds4

About [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium

[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium (PubChem CID 175317206) has the molecular formula C20H18F2P+ and a molecular weight of 327.33 g/mol. Its IUPAC name is [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium
PubChem CID175317206
Molecular FormulaC20H18F2P+
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C(F)F
InChIInChI=1S/C20H18F2P/c1-23(16-10-4-2-5-11-16,17-12-6-3-7-13-17)19-15-9-8-14-18(19)20(21)22/h2-15,20H,1H3/q+1
InChIKeyCRKDQCULSYLZER-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(difluoromethyl)phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium (CID 175317206) is [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium?
The InChIKey is CRKDQCULSYLZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2P/c1-23(16-10-4-2-5-11-16,17-12-6-3-7-13-17)19-15-9-8-14-18(19)20(21)22/h2-15,20H,1H3/q+1.
What are the key properties of [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium?
[2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium has a molecular weight of 327.33 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 175317206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).