2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane

C21H11F18O3P — CID 13183601

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane
SMILESFC(F)(F)C(OP1(c2ccccc2)(c2ccccc2)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1)C(F)(F)F
InChIInChI=1S/C21H11F18O3P/c22-14(23,24)13(15(25,26)27)40-43(11-7-3-1-4-8-11,12-9-5-2-6-10-12)41-16(18(28,29)30,19(31,32)33)17(42-43,20(34,35)36)21(37,38)39/h1-10,13H
InChIKeyJLYALIBRIRVWGG-UHFFFAOYSA-N
MW684.25 g/mol
LogP8.22
Rot. Bonds4

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane (PubChem CID 13183601) has the molecular formula C21H11F18O3P and a molecular weight of 684.25 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane
PubChem CID13183601
Molecular FormulaC21H11F18O3P
Molecular Weight684.25 g/mol
Exact Mass684.02
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane
SMILESFC(F)(F)C(OP1(c2ccccc2)(c2ccccc2)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1)C(F)(F)F
InChIInChI=1S/C21H11F18O3P/c22-14(23,24)13(15(25,26)27)40-43(11-7-3-1-4-8-11,12-9-5-2-6-10-12)41-16(18(28,29)30,19(31,32)33)17(42-43,20(34,35)36)21(37,38)39/h1-10,13H
InChIKeyJLYALIBRIRVWGG-UHFFFAOYSA-N
XLogP8.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.25
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane with MolForge

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Related Compounds

2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
CID 23418974
5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane
CID 23417145
N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine
CID 102119317
5-phenyl-5-(trifluoromethyl)tetrazole
CID 69382702
triphenyl(trifluoromethyl)phosphanium bromide
CID 175212392
N-benzyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 571775
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
methyl (2S)-2,3,3,3-tetrafluoro-2-(4-phenylphenyl)propanoate
CID 98040440
trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane
CID 11781130
2-methoxy-5-(4-methylphenyl)-2,2-diphenyl-3,3-bis(trifluoromethyl)-1,4,2λ5-oxazaphosphole
CID 23234978
benzyl-fluoro-dimethylsilane
CID 11105764
N-methyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1λ5-benzoxaphosphole]-1-amine
CID 101416815

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane?
The IUPAC name of 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) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane is FC(F)(F)C(OP1(c2ccccc2)(c2ccccc2)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane?
The InChIKey is JLYALIBRIRVWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F18O3P/c22-14(23,24)13(15(25,26)27)40-43(11-7-3-1-4-8-11,12-9-5-2-6-10-12)41-16(18(28,29)30,19(31,32)33)17(42-43,20(34,35)36)21(37,38)39/h1-10,13H.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane has a molecular weight of 684.25 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane is sourced from PubChem (CID 13183601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).