CID 139244267

C18H13F3OP — CID 139244267

IUPAC—
SMILESO[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H13F3OP/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,22H
InChIKeyZZQWSOGMHWFLHQ-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.31
Rot. Bonds3

About CID 139244267

CID 139244267 (PubChem CID 139244267) has the molecular formula C18H13F3OP and a molecular weight of 333.27 g/mol.

Molecular Properties

Compound NameCID 139244267
PubChem CID139244267
Molecular FormulaC18H13F3OP
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name—
SMILESO[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H13F3OP/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,22H
InChIKeyZZQWSOGMHWFLHQ-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 139244267?
The IUPAC name of CID 139244267 (CID 139244267) is not available.
What is the SMILES notation for CID 139244267?
The canonical SMILES for CID 139244267 is O[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of CID 139244267?
The InChIKey is ZZQWSOGMHWFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3OP/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,22H.
What are the key properties of CID 139244267?
CID 139244267 has a molecular weight of 333.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139244267 is sourced from PubChem (CID 139244267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).