fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium

C4H9FO2P+ — CID 87640222

IUPACfluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium
SMILESCC(CO)[P+](=O)CF
InChIInChI=1S/C4H9FO2P/c1-4(2-6)8(7)3-5/h4,6H,2-3H2,1H3/q+1
InChIKeyCEXOPZTYRJLBAQ-UHFFFAOYSA-N
MW139.09 g/mol
LogP1.12
Rot. Bonds3

About fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium

fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium (PubChem CID 87640222) has the molecular formula C4H9FO2P+ and a molecular weight of 139.09 g/mol. Its IUPAC name is fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium.

Molecular Properties

Compound Namefluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium
PubChem CID87640222
Molecular FormulaC4H9FO2P+
Molecular Weight139.09 g/mol
Exact Mass139.03
IUPAC Namefluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium
SMILESCC(CO)[P+](=O)CF
InChIInChI=1S/C4H9FO2P/c1-4(2-6)8(7)3-5/h4,6H,2-3H2,1H3/q+1
InChIKeyCEXOPZTYRJLBAQ-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 51.12
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 fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium?
The IUPAC name of fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium (CID 87640222) is fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium.
What is the SMILES notation for fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium?
The canonical SMILES for fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium is CC(CO)[P+](=O)CF.
What is the InChIKey of fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium?
The InChIKey is CEXOPZTYRJLBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2P/c1-4(2-6)8(7)3-5/h4,6H,2-3H2,1H3/q+1.
What are the key properties of fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium?
fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium has a molecular weight of 139.09 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-(1-hydroxypropan-2-yl)-oxophosphanium is sourced from PubChem (CID 87640222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).