4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one

C4H5F2O3P — CID 170288336

IUPAC4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one
SMILESCC1(P)OC(=O)OC1(F)F
InChIInChI=1S/C4H5F2O3P/c1-3(10)4(5,6)9-2(7)8-3/h10H2,1H3
InChIKeyRWEFHZSUNYOBFJ-UHFFFAOYSA-N
MW170.05 g/mol
LogP1.34
Rot. Bonds

About 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one

4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one (PubChem CID 170288336) has the molecular formula C4H5F2O3P and a molecular weight of 170.05 g/mol. Its IUPAC name is 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one
PubChem CID170288336
Molecular FormulaC4H5F2O3P
Molecular Weight170.05 g/mol
Exact Mass169.99
IUPAC Name4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one
SMILESCC1(P)OC(=O)OC1(F)F
InChIInChI=1S/C4H5F2O3P/c1-3(10)4(5,6)9-2(7)8-3/h10H2,1H3
InChIKeyRWEFHZSUNYOBFJ-UHFFFAOYSA-N
XLogP1.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.05
LogP ≤ 51.34
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 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one?
The IUPAC name of 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one (CID 170288336) is 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one?
The canonical SMILES for 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one is CC1(P)OC(=O)OC1(F)F.
What is the InChIKey of 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one?
The InChIKey is RWEFHZSUNYOBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2O3P/c1-3(10)4(5,6)9-2(7)8-3/h10H2,1H3.
What are the key properties of 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one?
4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one has a molecular weight of 170.05 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one is sourced from PubChem (CID 170288336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).