difluoro propyl phosphate

C3H7F2O4P — CID 87187191

IUPACdifluoro propyl phosphate
SMILESCCCOP(=O)(OF)OF
InChIInChI=1S/C3H7F2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3
InChIKeyGSOQJFVVTVLLEW-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.32
Rot. Bonds5

About difluoro propyl phosphate

difluoro propyl phosphate (PubChem CID 87187191) has the molecular formula C3H7F2O4P and a molecular weight of 176.05 g/mol. Its IUPAC name is difluoro propyl phosphate.

Molecular Properties

Compound Namedifluoro propyl phosphate
PubChem CID87187191
Molecular FormulaC3H7F2O4P
Molecular Weight176.05 g/mol
Exact Mass176.01
IUPAC Namedifluoro propyl phosphate
SMILESCCCOP(=O)(OF)OF
InChIInChI=1S/C3H7F2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3
InChIKeyGSOQJFVVTVLLEW-UHFFFAOYSA-N
XLogP2.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 propyl phosphate?
The IUPAC name of difluoro propyl phosphate (CID 87187191) is difluoro propyl phosphate.
What is the SMILES notation for difluoro propyl phosphate?
The canonical SMILES for difluoro propyl phosphate is CCCOP(=O)(OF)OF.
What is the InChIKey of difluoro propyl phosphate?
The InChIKey is GSOQJFVVTVLLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H2,1H3.
What are the key properties of difluoro propyl phosphate?
difluoro propyl phosphate has a molecular weight of 176.05 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro propyl phosphate is sourced from PubChem (CID 87187191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).