1,3-bis(difluorophosphoryloxy)propane

C3H6F4O4P2 — CID 139386982

IUPAC1,3-bis(difluorophosphoryloxy)propane
SMILESO=P(F)(F)OCCCOP(=O)(F)F
InChIInChI=1S/C3H6F4O4P2/c4-12(5,8)10-2-1-3-11-13(6,7)9/h1-3H2
InChIKeyKNRDKYRDEYYTNM-UHFFFAOYSA-N
MW244.02 g/mol
LogP3.50
Rot. Bonds6

About 1,3-bis(difluorophosphoryloxy)propane

1,3-bis(difluorophosphoryloxy)propane (PubChem CID 139386982) has the molecular formula C3H6F4O4P2 and a molecular weight of 244.02 g/mol. Its IUPAC name is 1,3-bis(difluorophosphoryloxy)propane.

Molecular Properties

Compound Name1,3-bis(difluorophosphoryloxy)propane
PubChem CID139386982
Molecular FormulaC3H6F4O4P2
Molecular Weight244.02 g/mol
Exact Mass243.97
IUPAC Name1,3-bis(difluorophosphoryloxy)propane
SMILESO=P(F)(F)OCCCOP(=O)(F)F
InChIInChI=1S/C3H6F4O4P2/c4-12(5,8)10-2-1-3-11-13(6,7)9/h1-3H2
InChIKeyKNRDKYRDEYYTNM-UHFFFAOYSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.02
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-bis(difluorophosphoryloxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(difluorophosphoryloxy)ethane
CID 139386981
4-difluorophosphoryloxybutan-1-ol
CID 178182563
1-difluorophosphoryloxy-2-isocyanatoethane
CID 170418364
1,3-bis(diethylphosphoryloxy)propane
CID 23081880
1-[fluoro(propoxy)phosphoryl]oxyhexane
CID 172772992
3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
CID 16109
fluoro(hexoxy)phosphinic acid;N-methyl-N-phosphanylmethanamine
CID 174325492
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
1-difluorophosphoryloxybut-2-ene
CID 130422729
dichloro 4-dichlorooxyphosphoryloxybutyl phosphate
CID 123805772
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(difluorophosphoryloxy)propane?
The IUPAC name of 1,3-bis(difluorophosphoryloxy)propane (CID 139386982) is 1,3-bis(difluorophosphoryloxy)propane.
What is the SMILES notation for 1,3-bis(difluorophosphoryloxy)propane?
The canonical SMILES for 1,3-bis(difluorophosphoryloxy)propane is O=P(F)(F)OCCCOP(=O)(F)F.
What is the InChIKey of 1,3-bis(difluorophosphoryloxy)propane?
The InChIKey is KNRDKYRDEYYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F4O4P2/c4-12(5,8)10-2-1-3-11-13(6,7)9/h1-3H2.
What are the key properties of 1,3-bis(difluorophosphoryloxy)propane?
1,3-bis(difluorophosphoryloxy)propane has a molecular weight of 244.02 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(difluorophosphoryloxy)propane is sourced from PubChem (CID 139386982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).