CID 129019421

C25H27FNO2P — CID 129019421

IUPAC—
SMILESC=[P+]([O-])C[C@@H]1CCC[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(F)cccc32)O1
InChIInChI=1S/C25H27FNO2P/c1-30(28)16-21-4-2-7-24(29-21)27-15-20(25-22(26)5-3-6-23(25)27)14-17-8-10-18(11-9-17)19-12-13-19/h3,5-6,8-11,15,19,21,24H,1-2,4,7,12-14,16H2/t21-,24+/m0/s1
InChIKeyZPGRLOWQWOWGCQ-XUZZJYLKSA-N
MW423.47 g/mol
LogP5.51
Rot. Bonds6

About CID 129019421

CID 129019421 (PubChem CID 129019421) has the molecular formula C25H27FNO2P and a molecular weight of 423.47 g/mol.

Molecular Properties

Compound NameCID 129019421
PubChem CID129019421
Molecular FormulaC25H27FNO2P
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name—
SMILESC=[P+]([O-])C[C@@H]1CCC[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(F)cccc32)O1
InChIInChI=1S/C25H27FNO2P/c1-30(28)16-21-4-2-7-24(29-21)27-15-20(25-22(26)5-3-6-23(25)27)14-17-8-10-18(11-9-17)19-12-13-19/h3,5-6,8-11,15,19,21,24H,1-2,4,7,12-14,16H2/t21-,24+/m0/s1
InChIKeyZPGRLOWQWOWGCQ-XUZZJYLKSA-N
XLogP5.51
TPSA37.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.51
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 CID 129019421?
The IUPAC name of CID 129019421 (CID 129019421) is not available.
What is the SMILES notation for CID 129019421?
The canonical SMILES for CID 129019421 is C=[P+]([O-])C[C@@H]1CCC[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(F)cccc32)O1.
What is the InChIKey of CID 129019421?
The InChIKey is ZPGRLOWQWOWGCQ-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H27FNO2P/c1-30(28)16-21-4-2-7-24(29-21)27-15-20(25-22(26)5-3-6-23(25)27)14-17-8-10-18(11-9-17)19-12-13-19/h3,5-6,8-11,15,19,21,24H,1-2,4,7,12-14,16H2/t21-,24+/m0/s1.
What are the key properties of CID 129019421?
CID 129019421 has a molecular weight of 423.47 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129019421 is sourced from PubChem (CID 129019421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).