2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C5H10FO3P — CID 5256276

IUPAC2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(F)OC1
InChIInChI=1S/C5H10FO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3
InChIKeyXJISJBVVETYAMI-UHFFFAOYSA-N
MW168.10 g/mol
LogP2.14
Rot. Bonds

About 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 5256276) has the molecular formula C5H10FO3P and a molecular weight of 168.10 g/mol. Its IUPAC name is 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID5256276
Molecular FormulaC5H10FO3P
Molecular Weight168.10 g/mol
Exact Mass168.04
IUPAC Name2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(F)OC1
InChIInChI=1S/C5H10FO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3
InChIKeyXJISJBVVETYAMI-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 52.14
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-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 5256276) is 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(F)OC1.
What is the InChIKey of 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is XJISJBVVETYAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3.
What are the key properties of 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 168.10 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 5256276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).