[butoxy(fluoro)phosphoryl]benzene

C10H14FO2P — CID 23235617

IUPAC[butoxy(fluoro)phosphoryl]benzene
SMILESCCCCOP(=O)(F)c1ccccc1
InChIInChI=1S/C10H14FO2P/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyQIZOEPYQMWNHDL-UHFFFAOYSA-N
MW216.19 g/mol
LogP3.29
Rot. Bonds5

About [butoxy(fluoro)phosphoryl]benzene

[butoxy(fluoro)phosphoryl]benzene (PubChem CID 23235617) has the molecular formula C10H14FO2P and a molecular weight of 216.19 g/mol. Its IUPAC name is [butoxy(fluoro)phosphoryl]benzene.

Molecular Properties

Compound Name[butoxy(fluoro)phosphoryl]benzene
PubChem CID23235617
Molecular FormulaC10H14FO2P
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name[butoxy(fluoro)phosphoryl]benzene
SMILESCCCCOP(=O)(F)c1ccccc1
InChIInChI=1S/C10H14FO2P/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyQIZOEPYQMWNHDL-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 53.29
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

di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
CID 66796976
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
benzene;tributyl phosphate
CID 69440959
butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
CID 23412949
dipropoxyphosphorylbenzene
CID 11736632
dibutoxyphosphorylsulfanylbenzene
CID 12968047
biphenylene;bis(dibutyl hydrogen phosphate)
CID 87094154
[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796378
2-dibutoxyphosphorylethynylbenzene
CID 10541814
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003

Frequently Asked Questions

What is the IUPAC name of [butoxy(fluoro)phosphoryl]benzene?
The IUPAC name of [butoxy(fluoro)phosphoryl]benzene (CID 23235617) is [butoxy(fluoro)phosphoryl]benzene.
What is the SMILES notation for [butoxy(fluoro)phosphoryl]benzene?
The canonical SMILES for [butoxy(fluoro)phosphoryl]benzene is CCCCOP(=O)(F)c1ccccc1.
What is the InChIKey of [butoxy(fluoro)phosphoryl]benzene?
The InChIKey is QIZOEPYQMWNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FO2P/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of [butoxy(fluoro)phosphoryl]benzene?
[butoxy(fluoro)phosphoryl]benzene has a molecular weight of 216.19 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(fluoro)phosphoryl]benzene is sourced from PubChem (CID 23235617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).