difluoro propan-2-yl phosphate

C3H7F2O4P — CID 87647761

IUPACdifluoro propan-2-yl phosphate
SMILESCC(C)OP(=O)(OF)OF
InChIInChI=1S/C3H7F2O4P/c1-3(2)7-10(6,8-4)9-5/h3H,1-2H3
InChIKeyWJTOULRJZXXYEM-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.32
Rot. Bonds4

About difluoro propan-2-yl phosphate

difluoro propan-2-yl phosphate (PubChem CID 87647761) has the molecular formula C3H7F2O4P and a molecular weight of 176.05 g/mol. Its IUPAC name is difluoro propan-2-yl phosphate.

Molecular Properties

Compound Namedifluoro propan-2-yl phosphate
PubChem CID87647761
Molecular FormulaC3H7F2O4P
Molecular Weight176.05 g/mol
Exact Mass176.01
IUPAC Namedifluoro propan-2-yl phosphate
SMILESCC(C)OP(=O)(OF)OF
InChIInChI=1S/C3H7F2O4P/c1-3(2)7-10(6,8-4)9-5/h3H,1-2H3
InChIKeyWJTOULRJZXXYEM-UHFFFAOYSA-N
XLogP2.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoro propan-2-yl phosphate?
The IUPAC name of difluoro propan-2-yl phosphate (CID 87647761) is difluoro propan-2-yl phosphate.
What is the SMILES notation for difluoro propan-2-yl phosphate?
The canonical SMILES for difluoro propan-2-yl phosphate is CC(C)OP(=O)(OF)OF.
What is the InChIKey of difluoro propan-2-yl phosphate?
The InChIKey is WJTOULRJZXXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2O4P/c1-3(2)7-10(6,8-4)9-5/h3H,1-2H3.
What are the key properties of difluoro propan-2-yl phosphate?
difluoro propan-2-yl phosphate has a molecular weight of 176.05 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro propan-2-yl phosphate is sourced from PubChem (CID 87647761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).