1-fluoro-2-methyl-3-phosphorosooxypropane

C4H8FO2P — CID 135365502

IUPAC1-fluoro-2-methyl-3-phosphorosooxypropane
SMILESCC(CF)COP=O
InChIInChI=1S/C4H8FO2P/c1-4(2-5)3-7-8-6/h4H,2-3H2,1H3
InChIKeyIMIMGUOKEQKNAQ-UHFFFAOYSA-N
MW138.08 g/mol
LogP1.82
Rot. Bonds4

About 1-fluoro-2-methyl-3-phosphorosooxypropane

1-fluoro-2-methyl-3-phosphorosooxypropane (PubChem CID 135365502) has the molecular formula C4H8FO2P and a molecular weight of 138.08 g/mol. Its IUPAC name is 1-fluoro-2-methyl-3-phosphorosooxypropane.

Molecular Properties

Compound Name1-fluoro-2-methyl-3-phosphorosooxypropane
PubChem CID135365502
Molecular FormulaC4H8FO2P
Molecular Weight138.08 g/mol
Exact Mass138.02
IUPAC Name1-fluoro-2-methyl-3-phosphorosooxypropane
SMILESCC(CF)COP=O
InChIInChI=1S/C4H8FO2P/c1-4(2-5)3-7-8-6/h4H,2-3H2,1H3
InChIKeyIMIMGUOKEQKNAQ-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.08
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 1-fluoro-2-methyl-3-phosphorosooxypropane?
The IUPAC name of 1-fluoro-2-methyl-3-phosphorosooxypropane (CID 135365502) is 1-fluoro-2-methyl-3-phosphorosooxypropane.
What is the SMILES notation for 1-fluoro-2-methyl-3-phosphorosooxypropane?
The canonical SMILES for 1-fluoro-2-methyl-3-phosphorosooxypropane is CC(CF)COP=O.
What is the InChIKey of 1-fluoro-2-methyl-3-phosphorosooxypropane?
The InChIKey is IMIMGUOKEQKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FO2P/c1-4(2-5)3-7-8-6/h4H,2-3H2,1H3.
What are the key properties of 1-fluoro-2-methyl-3-phosphorosooxypropane?
1-fluoro-2-methyl-3-phosphorosooxypropane has a molecular weight of 138.08 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-3-phosphorosooxypropane is sourced from PubChem (CID 135365502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).