2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene

C17H13F2OPS — CID 162415756

IUPAC2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene
SMILESCc1ccc(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)s1
InChIInChI=1S/C17H13F2OPS/c1-12-2-11-17(22-12)21(20,15-7-3-13(18)4-8-15)16-9-5-14(19)6-10-16/h2-11H,1H3
InChIKeyCSAFZDIXUWSLRP-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.97
Rot. Bonds3

About 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene

2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene (PubChem CID 162415756) has the molecular formula C17H13F2OPS and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene.

Molecular Properties

Compound Name2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene
PubChem CID162415756
Molecular FormulaC17H13F2OPS
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene
SMILESCc1ccc(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)s1
InChIInChI=1S/C17H13F2OPS/c1-12-2-11-17(22-12)21(20,15-7-3-13(18)4-8-15)16-9-5-14(19)6-10-16/h2-11H,1H3
InChIKeyCSAFZDIXUWSLRP-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.97
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 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene?
The IUPAC name of 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene (CID 162415756) is 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene.
What is the SMILES notation for 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene?
The canonical SMILES for 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene is Cc1ccc(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)s1.
What is the InChIKey of 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene?
The InChIKey is CSAFZDIXUWSLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2OPS/c1-12-2-11-17(22-12)21(20,15-7-3-13(18)4-8-15)16-9-5-14(19)6-10-16/h2-11H,1H3.
What are the key properties of 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene?
2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene has a molecular weight of 334.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-fluorophenyl)phosphoryl-5-methylthiophene is sourced from PubChem (CID 162415756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).