fluoro dipropyl phosphate

C6H14FO4P — CID 87187075

IUPACfluoro dipropyl phosphate
SMILESCCCOP(=O)(OF)OCCC
InChIInChI=1S/C6H14FO4P/c1-3-5-9-12(8,11-7)10-6-4-2/h3-6H2,1-2H3
InChIKeyLDHLOMZYFLBFQX-UHFFFAOYSA-N
MW200.15 g/mol
LogP2.85
Rot. Bonds7

About fluoro dipropyl phosphate

fluoro dipropyl phosphate (PubChem CID 87187075) has the molecular formula C6H14FO4P and a molecular weight of 200.15 g/mol. Its IUPAC name is fluoro dipropyl phosphate.

Molecular Properties

Compound Namefluoro dipropyl phosphate
PubChem CID87187075
Molecular FormulaC6H14FO4P
Molecular Weight200.15 g/mol
Exact Mass200.06
IUPAC Namefluoro dipropyl phosphate
SMILESCCCOP(=O)(OF)OCCC
InChIInChI=1S/C6H14FO4P/c1-3-5-9-12(8,11-7)10-6-4-2/h3-6H2,1-2H3
InChIKeyLDHLOMZYFLBFQX-UHFFFAOYSA-N
XLogP2.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 52.85
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 fluoro dipropyl phosphate?
The IUPAC name of fluoro dipropyl phosphate (CID 87187075) is fluoro dipropyl phosphate.
What is the SMILES notation for fluoro dipropyl phosphate?
The canonical SMILES for fluoro dipropyl phosphate is CCCOP(=O)(OF)OCCC.
What is the InChIKey of fluoro dipropyl phosphate?
The InChIKey is LDHLOMZYFLBFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO4P/c1-3-5-9-12(8,11-7)10-6-4-2/h3-6H2,1-2H3.
What are the key properties of fluoro dipropyl phosphate?
fluoro dipropyl phosphate has a molecular weight of 200.15 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro dipropyl phosphate is sourced from PubChem (CID 87187075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).