difluoro 2-fluoropropan-2-yl phosphate

C3H6F3O4P — CID 87222014

IUPACdifluoro 2-fluoropropan-2-yl phosphate
SMILESCC(C)(F)OP(=O)(OF)OF
InChIInChI=1S/C3H6F3O4P/c1-3(2,4)8-11(7,9-5)10-6/h1-2H3
InChIKeySNHXWKPATMOMRG-UHFFFAOYSA-N
MW194.04 g/mol
LogP2.62
Rot. Bonds4

About difluoro 2-fluoropropan-2-yl phosphate

difluoro 2-fluoropropan-2-yl phosphate (PubChem CID 87222014) has the molecular formula C3H6F3O4P and a molecular weight of 194.04 g/mol. Its IUPAC name is difluoro 2-fluoropropan-2-yl phosphate.

Molecular Properties

Compound Namedifluoro 2-fluoropropan-2-yl phosphate
PubChem CID87222014
Molecular FormulaC3H6F3O4P
Molecular Weight194.04 g/mol
Exact Mass194.00
IUPAC Namedifluoro 2-fluoropropan-2-yl phosphate
SMILESCC(C)(F)OP(=O)(OF)OF
InChIInChI=1S/C3H6F3O4P/c1-3(2,4)8-11(7,9-5)10-6/h1-2H3
InChIKeySNHXWKPATMOMRG-UHFFFAOYSA-N
XLogP2.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 52.62
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 2-fluoropropan-2-yl phosphate?
The IUPAC name of difluoro 2-fluoropropan-2-yl phosphate (CID 87222014) is difluoro 2-fluoropropan-2-yl phosphate.
What is the SMILES notation for difluoro 2-fluoropropan-2-yl phosphate?
The canonical SMILES for difluoro 2-fluoropropan-2-yl phosphate is CC(C)(F)OP(=O)(OF)OF.
What is the InChIKey of difluoro 2-fluoropropan-2-yl phosphate?
The InChIKey is SNHXWKPATMOMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O4P/c1-3(2,4)8-11(7,9-5)10-6/h1-2H3.
What are the key properties of difluoro 2-fluoropropan-2-yl phosphate?
difluoro 2-fluoropropan-2-yl phosphate has a molecular weight of 194.04 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro 2-fluoropropan-2-yl phosphate is sourced from PubChem (CID 87222014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).