1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane

C6H14FO3P — CID 88538036

IUPAC1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)OC(C)C
InChIInChI=1S/C6H14FO3P/c1-4-5-9-11(7,8)10-6(2)3/h6H,4-5H2,1-3H3
InChIKeyAZAFCEZGUGTDKE-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.92
Rot. Bonds5

About 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane

1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 88538036) has the molecular formula C6H14FO3P and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID88538036
Molecular FormulaC6H14FO3P
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)OC(C)C
InChIInChI=1S/C6H14FO3P/c1-4-5-9-11(7,8)10-6(2)3/h6H,4-5H2,1-3H3
InChIKeyAZAFCEZGUGTDKE-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane (CID 88538036) is 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane is CCCOP(=O)(F)OC(C)C.
What is the InChIKey of 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is AZAFCEZGUGTDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO3P/c1-4-5-9-11(7,8)10-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 184.15 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 88538036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).