2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane

C18H10F13O2P — CID 23418974

IUPAC2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
SMILESFC(F)(F)C1(C(F)(F)F)OP(F)(c2ccccc2)(c2ccccc2)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H10F13O2P/c19-15(20,21)13(16(22,23)24)14(17(25,26)27,18(28,29)30)33-34(31,32-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyUITXWEHZAYVORD-UHFFFAOYSA-N
MW536.22 g/mol
LogP6.68
Rot. Bonds2

About 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane

2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane (PubChem CID 23418974) has the molecular formula C18H10F13O2P and a molecular weight of 536.22 g/mol. Its IUPAC name is 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
PubChem CID23418974
Molecular FormulaC18H10F13O2P
Molecular Weight536.22 g/mol
Exact Mass536.02
IUPAC Name2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
SMILESFC(F)(F)C1(C(F)(F)F)OP(F)(c2ccccc2)(c2ccccc2)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H10F13O2P/c19-15(20,21)13(16(22,23)24)14(17(25,26)27,18(28,29)30)33-34(31,32-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyUITXWEHZAYVORD-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.22
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane with MolForge

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Related Compounds

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
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
2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
CID 10970687
2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563
N-methyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1λ5-benzoxaphosphole]-1-amine
CID 101416815
dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane
CID 90421883
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
CID 101101880
4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane
CID 85358454
2-methoxy-5-(4-methylphenyl)-2,2-diphenyl-3,3-bis(trifluoromethyl)-1,4,2λ5-oxazaphosphole
CID 23234978

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
The IUPAC name of 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane (CID 23418974) is 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane is FC(F)(F)C1(C(F)(F)F)OP(F)(c2ccccc2)(c2ccccc2)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
The InChIKey is UITXWEHZAYVORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F13O2P/c19-15(20,21)13(16(22,23)24)14(17(25,26)27,18(28,29)30)33-34(31,32-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane has a molecular weight of 536.22 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 23418974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).