12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene

C15H30FO2P — CID 124523540

IUPAC12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene
SMILESC=CCCCCCCCCCC[P@](=O)(F)OC(C)C
InChIInChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1
InChIKeyHAGAHLUSUUTRJV-LJQANCHMSA-N
MW292.38 g/mol
LogP6.27
Rot. Bonds13

About 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene

12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene (PubChem CID 124523540) has the molecular formula C15H30FO2P and a molecular weight of 292.38 g/mol. Its IUPAC name is 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene.

Molecular Properties

Compound Name12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene
PubChem CID124523540
Molecular FormulaC15H30FO2P
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Name12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene
SMILESC=CCCCCCCCCCC[P@](=O)(F)OC(C)C
InChIInChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1
InChIKeyHAGAHLUSUUTRJV-LJQANCHMSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene?
The IUPAC name of 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene (CID 124523540) is 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene.
What is the SMILES notation for 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene?
The canonical SMILES for 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene is C=CCCCCCCCCCC[P@](=O)(F)OC(C)C.
What is the InChIKey of 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene?
The InChIKey is HAGAHLUSUUTRJV-LJQANCHMSA-N. The full InChI is InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1.
What are the key properties of 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene?
12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene has a molecular weight of 292.38 g/mol, XLogP of 6.27, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[fluoro(propan-2-yloxy)phosphoryl]dodec-1-ene is sourced from PubChem (CID 124523540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).