[2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium

C10H17FO3P+ — CID 135229000

IUPAC[2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)CC(=O)C1CCC(C)(F)CC1
InChIInChI=1S/C10H17FO3P/c1-10(11)5-3-8(4-6-10)9(12)7-15(13)14-2/h8H,3-7H2,1-2H3/q+1
InChIKeyLASGPEVMBZVRPA-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.86
Rot. Bonds4

About [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium

[2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium (PubChem CID 135229000) has the molecular formula C10H17FO3P+ and a molecular weight of 235.21 g/mol. Its IUPAC name is [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium.

Molecular Properties

Compound Name[2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium
PubChem CID135229000
Molecular FormulaC10H17FO3P+
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name[2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)CC(=O)C1CCC(C)(F)CC1
InChIInChI=1S/C10H17FO3P/c1-10(11)5-3-8(4-6-10)9(12)7-15(13)14-2/h8H,3-7H2,1-2H3/q+1
InChIKeyLASGPEVMBZVRPA-UHFFFAOYSA-N
XLogP2.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium?
The IUPAC name of [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium (CID 135229000) is [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium.
What is the SMILES notation for [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium?
The canonical SMILES for [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium is CO[P+](=O)CC(=O)C1CCC(C)(F)CC1.
What is the InChIKey of [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium?
The InChIKey is LASGPEVMBZVRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3P/c1-10(11)5-3-8(4-6-10)9(12)7-15(13)14-2/h8H,3-7H2,1-2H3/q+1.
What are the key properties of [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium?
[2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium has a molecular weight of 235.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-4-methylcyclohexyl)-2-oxoethyl]-methoxy-oxophosphanium is sourced from PubChem (CID 135229000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).