1-diethylphosphoryloxy-2-fluorobenzene

C10H14FO2P — CID 66797040

IUPAC1-diethylphosphoryloxy-2-fluorobenzene
SMILESCCP(=O)(CC)Oc1ccccc1F
InChIInChI=1S/C10H14FO2P/c1-3-14(12,4-2)13-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyORGKTMAJAXGXAB-UHFFFAOYSA-N
MW216.19 g/mol
LogP3.52
Rot. Bonds4

About 1-diethylphosphoryloxy-2-fluorobenzene

1-diethylphosphoryloxy-2-fluorobenzene (PubChem CID 66797040) has the molecular formula C10H14FO2P and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-diethylphosphoryloxy-2-fluorobenzene.

Molecular Properties

Compound Name1-diethylphosphoryloxy-2-fluorobenzene
PubChem CID66797040
Molecular FormulaC10H14FO2P
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1-diethylphosphoryloxy-2-fluorobenzene
SMILESCCP(=O)(CC)Oc1ccccc1F
InChIInChI=1S/C10H14FO2P/c1-3-14(12,4-2)13-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyORGKTMAJAXGXAB-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(dipropylphosphoryloxy)benzene
CID 54254204
1-[butyl(ethyl)phosphoryl]oxy-2-methylbenzene
CID 23081741
1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
CID 87247572
1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene
CID 87247575
N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
CID 2313149
2-chloro-N-(2-chloroethyl)ethanamine;(2-fluorophenyl) phenyl hydrogen phosphate
CID 45050585
N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline
CID 2067423
ethyl (2-fluorophenyl) sulfate
CID 87155104
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
ethane;1-fluoro-2-phenoxybenzene
CID 170962676

Frequently Asked Questions

What is the IUPAC name of 1-diethylphosphoryloxy-2-fluorobenzene?
The IUPAC name of 1-diethylphosphoryloxy-2-fluorobenzene (CID 66797040) is 1-diethylphosphoryloxy-2-fluorobenzene.
What is the SMILES notation for 1-diethylphosphoryloxy-2-fluorobenzene?
The canonical SMILES for 1-diethylphosphoryloxy-2-fluorobenzene is CCP(=O)(CC)Oc1ccccc1F.
What is the InChIKey of 1-diethylphosphoryloxy-2-fluorobenzene?
The InChIKey is ORGKTMAJAXGXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FO2P/c1-3-14(12,4-2)13-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-diethylphosphoryloxy-2-fluorobenzene?
1-diethylphosphoryloxy-2-fluorobenzene has a molecular weight of 216.19 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylphosphoryloxy-2-fluorobenzene is sourced from PubChem (CID 66797040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).