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

C2H4Cl2FO2P — CID 23235728

IUPAC2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane
SMILESFP1(Cl)(Cl)OCCO1
InChIInChI=1S/C2H4Cl2FO2P/c3-8(4,5)6-1-2-7-8/h1-2H2
InChIKeyCZDXAHRJXVGNDN-UHFFFAOYSA-N
MW180.93 g/mol
LogP2.61
Rot. Bonds

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

2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane (PubChem CID 23235728) has the molecular formula C2H4Cl2FO2P and a molecular weight of 180.93 g/mol. Its IUPAC name is 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane
PubChem CID23235728
Molecular FormulaC2H4Cl2FO2P
Molecular Weight180.93 g/mol
Exact Mass179.93
IUPAC Name2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane
SMILESFP1(Cl)(Cl)OCCO1
InChIInChI=1S/C2H4Cl2FO2P/c3-8(4,5)6-1-2-7-8/h1-2H2
InChIKeyCZDXAHRJXVGNDN-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.93
LogP ≤ 52.61
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 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane?
The IUPAC name of 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane (CID 23235728) is 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane is FP1(Cl)(Cl)OCCO1.
What is the InChIKey of 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane?
The InChIKey is CZDXAHRJXVGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2FO2P/c3-8(4,5)6-1-2-7-8/h1-2H2.
What are the key properties of 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane?
2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane has a molecular weight of 180.93 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-2-fluoro-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 23235728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).