CID 45379272

C24H16ClF3P — CID 45379272

IUPAC—
SMILESFC(F)(F)c1ccc(Cl)c(-c2ccc(P([C]3[CH][CH][CH][CH]3)c3ccccc3)cc2)c1
InChIInChI=1S/C24H16ClF3P/c25-23-15-12-18(24(26,27)28)16-22(23)17-10-13-21(14-11-17)29(20-8-4-5-9-20)19-6-2-1-3-7-19/h1-16H
InChIKeyDRPFPWIFCZZLIT-UHFFFAOYSA-N
MW427.81 g/mol
LogP6.82
Rot. Bonds4

About CID 45379272

CID 45379272 (PubChem CID 45379272) has the molecular formula C24H16ClF3P and a molecular weight of 427.81 g/mol.

Molecular Properties

Compound NameCID 45379272
PubChem CID45379272
Molecular FormulaC24H16ClF3P
Molecular Weight427.81 g/mol
Exact Mass427.06
IUPAC Name—
SMILESFC(F)(F)c1ccc(Cl)c(-c2ccc(P([C]3[CH][CH][CH][CH]3)c3ccccc3)cc2)c1
InChIInChI=1S/C24H16ClF3P/c25-23-15-12-18(24(26,27)28)16-22(23)17-10-13-21(14-11-17)29(20-8-4-5-9-20)19-6-2-1-3-7-19/h1-16H
InChIKeyDRPFPWIFCZZLIT-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.81
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 45379272?
The IUPAC name of CID 45379272 (CID 45379272) is not available.
What is the SMILES notation for CID 45379272?
The canonical SMILES for CID 45379272 is FC(F)(F)c1ccc(Cl)c(-c2ccc(P([C]3[CH][CH][CH][CH]3)c3ccccc3)cc2)c1.
What is the InChIKey of CID 45379272?
The InChIKey is DRPFPWIFCZZLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3P/c25-23-15-12-18(24(26,27)28)16-22(23)17-10-13-21(14-11-17)29(20-8-4-5-9-20)19-6-2-1-3-7-19/h1-16H.
What are the key properties of CID 45379272?
CID 45379272 has a molecular weight of 427.81 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45379272 is sourced from PubChem (CID 45379272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).