CID 11787474

C24H23F6O2P — CID 11787474

IUPAC—
SMILESCO[C@@H](C)[C]1[CH][CH][CH][C]1P([C]1[CH][CH][CH][C]1[C@H](C)OC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H23F6O2P/c1-14(31-3)19-7-5-9-21(19)33(22-10-6-8-20(22)15(2)32-4)18-12-16(23(25,26)27)11-17(13-18)24(28,29)30/h5-15H,1-4H3/t14-,15-/m0/s1
InChIKeyFKGMMXVXSVTVEC-GJZGRUSLSA-N
MW488.41 g/mol
LogP6.37
Rot. Bonds7

About CID 11787474

CID 11787474 (PubChem CID 11787474) has the molecular formula C24H23F6O2P and a molecular weight of 488.41 g/mol.

Molecular Properties

Compound NameCID 11787474
PubChem CID11787474
Molecular FormulaC24H23F6O2P
Molecular Weight488.41 g/mol
Exact Mass488.13
IUPAC Name—
SMILESCO[C@@H](C)[C]1[CH][CH][CH][C]1P([C]1[CH][CH][CH][C]1[C@H](C)OC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H23F6O2P/c1-14(31-3)19-7-5-9-21(19)33(22-10-6-8-20(22)15(2)32-4)18-12-16(23(25,26)27)11-17(13-18)24(28,29)30/h5-15H,1-4H3/t14-,15-/m0/s1
InChIKeyFKGMMXVXSVTVEC-GJZGRUSLSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.41
LogP ≤ 56.37
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 CID 11787474?
The IUPAC name of CID 11787474 (CID 11787474) is not available.
What is the SMILES notation for CID 11787474?
The canonical SMILES for CID 11787474 is CO[C@@H](C)[C]1[CH][CH][CH][C]1P([C]1[CH][CH][CH][C]1[C@H](C)OC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of CID 11787474?
The InChIKey is FKGMMXVXSVTVEC-GJZGRUSLSA-N. The full InChI is InChI=1S/C24H23F6O2P/c1-14(31-3)19-7-5-9-21(19)33(22-10-6-8-20(22)15(2)32-4)18-12-16(23(25,26)27)11-17(13-18)24(28,29)30/h5-15H,1-4H3/t14-,15-/m0/s1.
What are the key properties of CID 11787474?
CID 11787474 has a molecular weight of 488.41 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11787474 is sourced from PubChem (CID 11787474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).