2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide

C2H4FO3P — CID 87187086

IUPAC2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(F)OCCO1
InChIInChI=1S/C2H4FO3P/c3-7(4)5-1-2-6-7/h1-2H2
InChIKeyRJUGDGQTPFZVTQ-UHFFFAOYSA-N
MW126.02 g/mol
LogP1.11
Rot. Bonds

About 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide

2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 87187086) has the molecular formula C2H4FO3P and a molecular weight of 126.02 g/mol. Its IUPAC name is 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID87187086
Molecular FormulaC2H4FO3P
Molecular Weight126.02 g/mol
Exact Mass125.99
IUPAC Name2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(F)OCCO1
InChIInChI=1S/C2H4FO3P/c3-7(4)5-1-2-6-7/h1-2H2
InChIKeyRJUGDGQTPFZVTQ-UHFFFAOYSA-N
XLogP1.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.02
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide (CID 87187086) is 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide is O=P1(F)OCCO1.
What is the InChIKey of 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is RJUGDGQTPFZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4FO3P/c3-7(4)5-1-2-6-7/h1-2H2.
What are the key properties of 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide?
2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 126.02 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 87187086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).