1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene

C16H18FO2P — CID 66796976

IUPAC1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
SMILESCCCCOP(=O)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FO2P/c1-2-3-13-19-20(18,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,2-3,13H2,1H3
InChIKeyWXXCRFPKOVQWTG-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.87
Rot. Bonds6

About 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene

1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene (PubChem CID 66796976) has the molecular formula C16H18FO2P and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
PubChem CID66796976
Molecular FormulaC16H18FO2P
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
SMILESCCCCOP(=O)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FO2P/c1-2-3-13-19-20(18,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,2-3,13H2,1H3
InChIKeyWXXCRFPKOVQWTG-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[decoxy(phenyl)phosphoryl]benzene
CID 135066173
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
di(tridecoxy)phosphorylbenzene
CID 87531060
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
1-dibutoxyphosphoryl-2-methylbenzene
CID 12828370
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419
benzene;tributyl phosphate
CID 69440959
1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796970
butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
CID 23412949
1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene
CID 87154858
dipropoxyphosphorylbenzene
CID 11736632
dibutoxyphosphorylsulfanylbenzene
CID 12968047

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene?
The IUPAC name of 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene (CID 66796976) is 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene.
What is the SMILES notation for 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene?
The canonical SMILES for 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene is CCCCOP(=O)(c1ccccc1)c1ccccc1F.
What is the InChIKey of 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene?
The InChIKey is WXXCRFPKOVQWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FO2P/c1-2-3-13-19-20(18,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,2-3,13H2,1H3.
What are the key properties of 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene?
1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene has a molecular weight of 292.29 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene is sourced from PubChem (CID 66796976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).