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

C6H14FO2P — CID 581418

IUPAC1-[fluoro(propan-2-yloxy)phosphoryl]propane
SMILESCCCP(=O)(F)OC(C)C
InChIInChI=1S/C6H14FO2P/c1-4-5-10(7,8)9-6(2)3/h6H,4-5H2,1-3H3
InChIKeyFETXTCAOLPVKEF-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.98
Rot. Bonds4

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

1-[fluoro(propan-2-yloxy)phosphoryl]propane (PubChem CID 581418) has the molecular formula C6H14FO2P and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-[fluoro(propan-2-yloxy)phosphoryl]propane.

Molecular Properties

Compound Name1-[fluoro(propan-2-yloxy)phosphoryl]propane
PubChem CID581418
Molecular FormulaC6H14FO2P
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Name1-[fluoro(propan-2-yloxy)phosphoryl]propane
SMILESCCCP(=O)(F)OC(C)C
InChIInChI=1S/C6H14FO2P/c1-4-5-10(7,8)9-6(2)3/h6H,4-5H2,1-3H3
InChIKeyFETXTCAOLPVKEF-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]propane?
The IUPAC name of 1-[fluoro(propan-2-yloxy)phosphoryl]propane (CID 581418) is 1-[fluoro(propan-2-yloxy)phosphoryl]propane.
What is the SMILES notation for 1-[fluoro(propan-2-yloxy)phosphoryl]propane?
The canonical SMILES for 1-[fluoro(propan-2-yloxy)phosphoryl]propane is CCCP(=O)(F)OC(C)C.
What is the InChIKey of 1-[fluoro(propan-2-yloxy)phosphoryl]propane?
The InChIKey is FETXTCAOLPVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO2P/c1-4-5-10(7,8)9-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-[fluoro(propan-2-yloxy)phosphoryl]propane?
1-[fluoro(propan-2-yloxy)phosphoryl]propane has a molecular weight of 168.15 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(propan-2-yloxy)phosphoryl]propane is sourced from PubChem (CID 581418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).