5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane

C15H11F12O3P — CID 23417145

IUPAC5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane
SMILESFC(F)(F)C1(C(F)(F)F)OP2(c3ccccc3)(CCCO2)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H11F12O3P/c16-12(17,18)10(13(19,20)21)11(14(22,23)24,15(25,26)27)30-31(29-10,8-4-7-28-31)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyQBFCQCWMBVZZIF-UHFFFAOYSA-N
MW498.20 g/mol
LogP5.80
Rot. Bonds1

About 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane

5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane (PubChem CID 23417145) has the molecular formula C15H11F12O3P and a molecular weight of 498.20 g/mol. Its IUPAC name is 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane.

Molecular Properties

Compound Name5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane
PubChem CID23417145
Molecular FormulaC15H11F12O3P
Molecular Weight498.20 g/mol
Exact Mass498.03
IUPAC Name5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane
SMILESFC(F)(F)C1(C(F)(F)F)OP2(c3ccccc3)(CCCO2)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H11F12O3P/c16-12(17,18)10(13(19,20)21)11(14(22,23)24,15(25,26)27)30-31(29-10,8-4-7-28-31)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyQBFCQCWMBVZZIF-UHFFFAOYSA-N
XLogP5.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.20
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
CID 23418974
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane
CID 13183601
6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane
CID 23417083
5-phenyl-5λ5-phosphaspiro[4.4]nonane
CID 23419870
N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine
CID 102119317
(3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine
CID 159915568
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
CID 101101880
phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
CID 12037703
diphenyl-bis(trifluoromethyl)silane
CID 13186519
oxetane;phenol
CID 67135330
(2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane
CID 88933359
5-phenyl-5-(trifluoromethyl)tetrazole
CID 69382702

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane?
The IUPAC name of 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane (CID 23417145) is 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane.
What is the SMILES notation for 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane?
The canonical SMILES for 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane is FC(F)(F)C1(C(F)(F)F)OP2(c3ccccc3)(CCCO2)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane?
The InChIKey is QBFCQCWMBVZZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F12O3P/c16-12(17,18)10(13(19,20)21)11(14(22,23)24,15(25,26)27)30-31(29-10,8-4-7-28-31)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane?
5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane has a molecular weight of 498.20 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane is sourced from PubChem (CID 23417145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).