[dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane

C12H19FO6P2 — CID 10521083

IUPAC[dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane
SMILESCOP(=O)(OC)C(c1ccccc1F)=P(OC)(OC)OC
InChIInChI=1S/C12H19FO6P2/c1-15-20(14,16-2)12(21(17-3,18-4)19-5)10-8-6-7-9-11(10)13/h6-9H,1-5H3
InChIKeyICFKYHVLADQCSE-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.49
Rot. Bonds7

About [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane

[dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane (PubChem CID 10521083) has the molecular formula C12H19FO6P2 and a molecular weight of 340.22 g/mol. Its IUPAC name is [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane.

Molecular Properties

Compound Name[dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane
PubChem CID10521083
Molecular FormulaC12H19FO6P2
Molecular Weight340.22 g/mol
Exact Mass340.06
IUPAC Name[dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane
SMILESCOP(=O)(OC)C(c1ccccc1F)=P(OC)(OC)OC
InChIInChI=1S/C12H19FO6P2/c1-15-20(14,16-2)12(21(17-3,18-4)19-5)10-8-6-7-9-11(10)13/h6-9H,1-5H3
InChIKeyICFKYHVLADQCSE-UHFFFAOYSA-N
XLogP3.49
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methylbenzamide;hydrate
CID 141303255
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
[(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid
CID 66796230
[2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid
CID 66796203
lithium 2-fluorobenzoate
CID 19205780
ethane;2-fluorobenzoic acid
CID 91182768
ethane;2-fluoro-N-methylbenzamide
CID 178102327
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
3-methoxypropyl 2-fluorobenzoate
CID 63297243
2-amino-1-(2-fluorophenyl)-2-methoxyethanone
CID 57287151
(Z)-1-(2-fluorophenyl)-N-methoxyethanimine
CID 18416418
2-fluorobenzoic acid;oxalic acid;hydrate
CID 172785033

Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane?
The IUPAC name of [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane (CID 10521083) is [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane.
What is the SMILES notation for [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane?
The canonical SMILES for [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane is COP(=O)(OC)C(c1ccccc1F)=P(OC)(OC)OC.
What is the InChIKey of [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane?
The InChIKey is ICFKYHVLADQCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO6P2/c1-15-20(14,16-2)12(21(17-3,18-4)19-5)10-8-6-7-9-11(10)13/h6-9H,1-5H3.
What are the key properties of [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane?
[dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane has a molecular weight of 340.22 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane is sourced from PubChem (CID 10521083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).