1-dimethylphosphoryl-3-fluorobenzene

C8H10FOP — CID 66796481

IUPAC1-dimethylphosphoryl-3-fluorobenzene
SMILESCP(C)(=O)c1cccc(F)c1
InChIInChI=1S/C8H10FOP/c1-11(2,10)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyIQSFNVZHXDRRFG-UHFFFAOYSA-N
MW172.14 g/mol
LogP2.07
Rot. Bonds1

About 1-dimethylphosphoryl-3-fluorobenzene

1-dimethylphosphoryl-3-fluorobenzene (PubChem CID 66796481) has the molecular formula C8H10FOP and a molecular weight of 172.14 g/mol. Its IUPAC name is 1-dimethylphosphoryl-3-fluorobenzene.

Molecular Properties

Compound Name1-dimethylphosphoryl-3-fluorobenzene
PubChem CID66796481
Molecular FormulaC8H10FOP
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name1-dimethylphosphoryl-3-fluorobenzene
SMILESCP(C)(=O)c1cccc(F)c1
InChIInChI=1S/C8H10FOP/c1-11(2,10)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyIQSFNVZHXDRRFG-UHFFFAOYSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 52.07
H-Bond Donors ≤ 50
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 1-dimethylphosphoryl-3-fluorobenzene?
The IUPAC name of 1-dimethylphosphoryl-3-fluorobenzene (CID 66796481) is 1-dimethylphosphoryl-3-fluorobenzene.
What is the SMILES notation for 1-dimethylphosphoryl-3-fluorobenzene?
The canonical SMILES for 1-dimethylphosphoryl-3-fluorobenzene is CP(C)(=O)c1cccc(F)c1.
What is the InChIKey of 1-dimethylphosphoryl-3-fluorobenzene?
The InChIKey is IQSFNVZHXDRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FOP/c1-11(2,10)8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of 1-dimethylphosphoryl-3-fluorobenzene?
1-dimethylphosphoryl-3-fluorobenzene has a molecular weight of 172.14 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-3-fluorobenzene is sourced from PubChem (CID 66796481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).