fluoro-oxo-propan-2-yloxyphosphanium

C3H7FO2P+ — CID 6431918

IUPACfluoro-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)F
InChIInChI=1S/C3H7FO2P/c1-3(2)6-7(4)5/h3H,1-2H3/q+1
InChIKeyAMXIQJBBBQJRMI-UHFFFAOYSA-N
MW125.06 g/mol
LogP2.04
Rot. Bonds2

About fluoro-oxo-propan-2-yloxyphosphanium

fluoro-oxo-propan-2-yloxyphosphanium (PubChem CID 6431918) has the molecular formula C3H7FO2P+ and a molecular weight of 125.06 g/mol. Its IUPAC name is fluoro-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Namefluoro-oxo-propan-2-yloxyphosphanium
PubChem CID6431918
Molecular FormulaC3H7FO2P+
Molecular Weight125.06 g/mol
Exact Mass125.02
IUPAC Namefluoro-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)F
InChIInChI=1S/C3H7FO2P/c1-3(2)6-7(4)5/h3H,1-2H3/q+1
InChIKeyAMXIQJBBBQJRMI-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.06
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl Fluorophosphate
CID 5936
Sarin
CID 7871
Ethylsarin
CID 65566
1-Methylpropyl methylphosphonofluoridate
CID 520723
Bis(1-methylpropyl) phosphorofluoridate
CID 102452
Isopropyl propylphosphonofluoridoate
CID 581418
Phosphonofluoridic acid, (1-methylethyl)-, 1-methylethyl ester
CID 581541
Phosphoric acid, 1-methylethyl ester
CID 12691406
1-Methylethyl (P(S))-P-methylphosphonofluoridate
CID 12315315
1-Methylethyl (P(R))-P-methylphosphonofluoridate
CID 12315316
Isopropyl methyl phosphorofluoridate
CID 15768530
n-Propoxydifluorophosphine oxide
CID 23443859

Frequently Asked Questions

What is the IUPAC name of fluoro-oxo-propan-2-yloxyphosphanium?
The IUPAC name of fluoro-oxo-propan-2-yloxyphosphanium (CID 6431918) is fluoro-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for fluoro-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for fluoro-oxo-propan-2-yloxyphosphanium is CC(C)O[P+](=O)F.
What is the InChIKey of fluoro-oxo-propan-2-yloxyphosphanium?
The InChIKey is AMXIQJBBBQJRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO2P/c1-3(2)6-7(4)5/h3H,1-2H3/q+1.
What are the key properties of fluoro-oxo-propan-2-yloxyphosphanium?
fluoro-oxo-propan-2-yloxyphosphanium has a molecular weight of 125.06 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 6431918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).