1,2-difluoropropan-2-yl dihydrogen phosphate

C3H7F2O4P — CID 154029531

IUPAC1,2-difluoropropan-2-yl dihydrogen phosphate
SMILESCC(F)(CF)OP(=O)(O)O
InChIInChI=1S/C3H7F2O4P/c1-3(5,2-4)9-10(6,7)8/h2H2,1H3,(H2,6,7,8)
InChIKeyGMUOVMJDWCNPLG-UHFFFAOYSA-N
MW176.05 g/mol
LogP0.75
Rot. Bonds3

About 1,2-difluoropropan-2-yl dihydrogen phosphate

1,2-difluoropropan-2-yl dihydrogen phosphate (PubChem CID 154029531) has the molecular formula C3H7F2O4P and a molecular weight of 176.05 g/mol. Its IUPAC name is 1,2-difluoropropan-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name1,2-difluoropropan-2-yl dihydrogen phosphate
PubChem CID154029531
Molecular FormulaC3H7F2O4P
Molecular Weight176.05 g/mol
Exact Mass176.01
IUPAC Name1,2-difluoropropan-2-yl dihydrogen phosphate
SMILESCC(F)(CF)OP(=O)(O)O
InChIInChI=1S/C3H7F2O4P/c1-3(5,2-4)9-10(6,7)8/h2H2,1H3,(H2,6,7,8)
InChIKeyGMUOVMJDWCNPLG-UHFFFAOYSA-N
XLogP0.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 50.75
H-Bond Donors ≤ 52
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 1,2-difluoropropan-2-yl dihydrogen phosphate?
The IUPAC name of 1,2-difluoropropan-2-yl dihydrogen phosphate (CID 154029531) is 1,2-difluoropropan-2-yl dihydrogen phosphate.
What is the SMILES notation for 1,2-difluoropropan-2-yl dihydrogen phosphate?
The canonical SMILES for 1,2-difluoropropan-2-yl dihydrogen phosphate is CC(F)(CF)OP(=O)(O)O.
What is the InChIKey of 1,2-difluoropropan-2-yl dihydrogen phosphate?
The InChIKey is GMUOVMJDWCNPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2O4P/c1-3(5,2-4)9-10(6,7)8/h2H2,1H3,(H2,6,7,8).
What are the key properties of 1,2-difluoropropan-2-yl dihydrogen phosphate?
1,2-difluoropropan-2-yl dihydrogen phosphate has a molecular weight of 176.05 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoropropan-2-yl dihydrogen phosphate is sourced from PubChem (CID 154029531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).