(2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium

C14H17F3O2P+ — CID 68928252

IUPAC(2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](OCC(F)(F)F)c1ccccc1C1CCCCC1
InChIInChI=1S/C14H17F3O2P/c15-14(16,17)10-19-20(18)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2/q+1
InChIKeyHRDRQHHIOGGSIX-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.68
Rot. Bonds4

About (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium

(2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 68928252) has the molecular formula C14H17F3O2P+ and a molecular weight of 305.26 g/mol. Its IUPAC name is (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Name(2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID68928252
Molecular FormulaC14H17F3O2P+
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC Name(2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](OCC(F)(F)F)c1ccccc1C1CCCCC1
InChIInChI=1S/C14H17F3O2P/c15-14(16,17)10-19-20(18)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2/q+1
InChIKeyHRDRQHHIOGGSIX-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.68
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-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium (CID 68928252) is (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium is O=[P+](OCC(F)(F)F)c1ccccc1C1CCCCC1.
What is the InChIKey of (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is HRDRQHHIOGGSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2P/c15-14(16,17)10-19-20(18)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2/q+1.
What are the key properties of (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium?
(2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 305.26 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenyl)-oxo-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 68928252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).