difluoro 1,2,3,3-tetrafluoropropyl phosphate

C3H3F6O4P — CID 87187162

IUPACdifluoro 1,2,3,3-tetrafluoropropyl phosphate
SMILESO=P(OF)(OF)OC(F)C(F)C(F)F
InChIInChI=1S/C3H3F6O4P/c4-1(2(5)6)3(7)11-14(10,12-8)13-9/h1-3H
InChIKeyBYGGTOOMHVHKKT-UHFFFAOYSA-N
MW248.02 g/mol
LogP2.81
Rot. Bonds6

About difluoro 1,2,3,3-tetrafluoropropyl phosphate

difluoro 1,2,3,3-tetrafluoropropyl phosphate (PubChem CID 87187162) has the molecular formula C3H3F6O4P and a molecular weight of 248.02 g/mol. Its IUPAC name is difluoro 1,2,3,3-tetrafluoropropyl phosphate.

Molecular Properties

Compound Namedifluoro 1,2,3,3-tetrafluoropropyl phosphate
PubChem CID87187162
Molecular FormulaC3H3F6O4P
Molecular Weight248.02 g/mol
Exact Mass247.97
IUPAC Namedifluoro 1,2,3,3-tetrafluoropropyl phosphate
SMILESO=P(OF)(OF)OC(F)C(F)C(F)F
InChIInChI=1S/C3H3F6O4P/c4-1(2(5)6)3(7)11-14(10,12-8)13-9/h1-3H
InChIKeyBYGGTOOMHVHKKT-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.02
LogP ≤ 52.81
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 1,2,3,3-tetrafluoropropyl phosphate?
The IUPAC name of difluoro 1,2,3,3-tetrafluoropropyl phosphate (CID 87187162) is difluoro 1,2,3,3-tetrafluoropropyl phosphate.
What is the SMILES notation for difluoro 1,2,3,3-tetrafluoropropyl phosphate?
The canonical SMILES for difluoro 1,2,3,3-tetrafluoropropyl phosphate is O=P(OF)(OF)OC(F)C(F)C(F)F.
What is the InChIKey of difluoro 1,2,3,3-tetrafluoropropyl phosphate?
The InChIKey is BYGGTOOMHVHKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6O4P/c4-1(2(5)6)3(7)11-14(10,12-8)13-9/h1-3H.
What are the key properties of difluoro 1,2,3,3-tetrafluoropropyl phosphate?
difluoro 1,2,3,3-tetrafluoropropyl phosphate has a molecular weight of 248.02 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro 1,2,3,3-tetrafluoropropyl phosphate is sourced from PubChem (CID 87187162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).