2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)

C12H14FO2W+ — CID 20590710

IUPAC2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)
SMILES[CH2-]C1CCC(COc2ccc(F)cc2)O1.[W+2]
InChIInChI=1S/C12H14FO2.W/c1-9-2-5-12(15-9)8-14-11-6-3-10(13)4-7-11;/h3-4,6-7,9,12H,1-2,5,8H2;/q-1;+2
InChIKeyQCJAYRJFXBXDCY-UHFFFAOYSA-N
MW393.08 g/mol
LogP2.58
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)

2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+) (PubChem CID 20590710) has the molecular formula C12H14FO2W+ and a molecular weight of 393.08 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+).

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)
PubChem CID20590710
Molecular FormulaC12H14FO2W+
Molecular Weight393.08 g/mol
Exact Mass393.05
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)
SMILES[CH2-]C1CCC(COc2ccc(F)cc2)O1.[W+2]
InChIInChI=1S/C12H14FO2.W/c1-9-2-5-12(15-9)8-14-11-6-3-10(13)4-7-11;/h3-4,6-7,9,12H,1-2,5,8H2;/q-1;+2
InChIKeyQCJAYRJFXBXDCY-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-2-yn-1-ol
CID 70006099
4-[(2R,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-2-yn-1-ol
CID 70006094
N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62454144
[(3R,6S)-6-[(4-fluorophenoxy)methyl]oxan-3-yl]methanamine
CID 69476160
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
4-[(2S,6S)-6-[(4-fluorophenoxy)methyl]oxan-2-yl]but-3-yn-1-ol
CID 15471017
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
N,N-diethyl-3-[(4-fluorophenoxy)methyl]oxiran-2-amine
CID 174187392
1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 67933653
7-[[4-(4-fluorophenyl)phenoxy]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 123693507
8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
CID 58923764

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+) (CID 20590710) is 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+).
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+) is [CH2-]C1CCC(COc2ccc(F)cc2)O1.[W+2].
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)?
The InChIKey is QCJAYRJFXBXDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FO2.W/c1-9-2-5-12(15-9)8-14-11-6-3-10(13)4-7-11;/h3-4,6-7,9,12H,1-2,5,8H2;/q-1;+2.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)?
2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+) has a molecular weight of 393.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+) is sourced from PubChem (CID 20590710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).