[2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane

C10H12FO2P — CID 144750107

IUPAC[2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane
SMILESFc1cccc(C2OCC(P)CO2)c1
InChIInChI=1S/C10H12FO2P/c11-8-3-1-2-7(4-8)10-12-5-9(14)6-13-10/h1-4,9-10H,5-6,14H2
InChIKeyONTSZKUEKOJIOK-UHFFFAOYSA-N
MW214.18 g/mol
LogP2.11
Rot. Bonds1

About [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane

[2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane (PubChem CID 144750107) has the molecular formula C10H12FO2P and a molecular weight of 214.18 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane
PubChem CID144750107
Molecular FormulaC10H12FO2P
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name[2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane
SMILESFc1cccc(C2OCC(P)CO2)c1
InChIInChI=1S/C10H12FO2P/c11-8-3-1-2-7(4-8)10-12-5-9(14)6-13-10/h1-4,9-10H,5-6,14H2
InChIKeyONTSZKUEKOJIOK-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane?
The IUPAC name of [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane (CID 144750107) is [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane.
What is the SMILES notation for [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane?
The canonical SMILES for [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane is Fc1cccc(C2OCC(P)CO2)c1.
What is the InChIKey of [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane?
The InChIKey is ONTSZKUEKOJIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FO2P/c11-8-3-1-2-7(4-8)10-12-5-9(14)6-13-10/h1-4,9-10H,5-6,14H2.
What are the key properties of [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane?
[2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane has a molecular weight of 214.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-1,3-dioxan-5-yl]phosphane is sourced from PubChem (CID 144750107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).