2-[chloro(fluoromethoxy)phosphoryl]propane

C4H9ClFO2P — CID 88777535

IUPAC2-[chloro(fluoromethoxy)phosphoryl]propane
SMILESCC(C)P(=O)(Cl)OCF
InChIInChI=1S/C4H9ClFO2P/c1-4(2)9(5,7)8-3-6/h4H,3H2,1-2H3
InChIKeyRIUSHHBIGJVIIJ-UHFFFAOYSA-N
MW174.54 g/mol
LogP2.77
Rot. Bonds3

About 2-[chloro(fluoromethoxy)phosphoryl]propane

2-[chloro(fluoromethoxy)phosphoryl]propane (PubChem CID 88777535) has the molecular formula C4H9ClFO2P and a molecular weight of 174.54 g/mol. Its IUPAC name is 2-[chloro(fluoromethoxy)phosphoryl]propane.

Molecular Properties

Compound Name2-[chloro(fluoromethoxy)phosphoryl]propane
PubChem CID88777535
Molecular FormulaC4H9ClFO2P
Molecular Weight174.54 g/mol
Exact Mass174.00
IUPAC Name2-[chloro(fluoromethoxy)phosphoryl]propane
SMILESCC(C)P(=O)(Cl)OCF
InChIInChI=1S/C4H9ClFO2P/c1-4(2)9(5,7)8-3-6/h4H,3H2,1-2H3
InChIKeyRIUSHHBIGJVIIJ-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.54
LogP ≤ 52.77
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

disodium;fluoromethyl phosphate
CID 59669328
1-[fluoro(propan-2-yl)phosphoryl]oxypropane
CID 581249
[chloro(methoxy)phosphoryl]-fluoromethane
CID 86095983
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
tris[(2R)-2-chloropropyl] phosphate
CID 91865019
2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane
CID 15502709
1-[butoxy(chloro)phosphoryl]oxybutane;2-[chloro(propan-2-yloxy)phosphoryl]oxypropane
CID 88815349
2-[2-chloroethyl(ethoxy)phosphoryl]propane
CID 71392643
di(propan-2-yl)phosphoryl hypochlorite
CID 175525433
[chloro-[chloro(methyl)phosphoryl]oxyphosphoryl]methane
CID 10987550
2-[fluoro(methyl)phosphoryl]propane
CID 23616463
2-diethoxyphosphorylbutane
CID 2733649

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(fluoromethoxy)phosphoryl]propane?
The IUPAC name of 2-[chloro(fluoromethoxy)phosphoryl]propane (CID 88777535) is 2-[chloro(fluoromethoxy)phosphoryl]propane.
What is the SMILES notation for 2-[chloro(fluoromethoxy)phosphoryl]propane?
The canonical SMILES for 2-[chloro(fluoromethoxy)phosphoryl]propane is CC(C)P(=O)(Cl)OCF.
What is the InChIKey of 2-[chloro(fluoromethoxy)phosphoryl]propane?
The InChIKey is RIUSHHBIGJVIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClFO2P/c1-4(2)9(5,7)8-3-6/h4H,3H2,1-2H3.
What are the key properties of 2-[chloro(fluoromethoxy)phosphoryl]propane?
2-[chloro(fluoromethoxy)phosphoryl]propane has a molecular weight of 174.54 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(fluoromethoxy)phosphoryl]propane is sourced from PubChem (CID 88777535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).