[4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane

C9H3F10O4PS2 — CID 89295566

IUPAC[4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane
SMILESO=S(=O)(C(c1c(F)c(F)c(P)c(F)c1F)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F10O4PS2/c10-2-1(3(11)5(13)6(24)4(2)12)7(25(20,21)8(14,15)16)26(22,23)9(17,18)19/h7H,24H2
InChIKeyIUPACUKTGRORSU-UHFFFAOYSA-N
MW460.21 g/mol
LogP2.61
Rot. Bonds3

About [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane

[4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane (PubChem CID 89295566) has the molecular formula C9H3F10O4PS2 and a molecular weight of 460.21 g/mol. Its IUPAC name is [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane.

Molecular Properties

Compound Name[4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane
PubChem CID89295566
Molecular FormulaC9H3F10O4PS2
Molecular Weight460.21 g/mol
Exact Mass459.91
IUPAC Name[4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane
SMILESO=S(=O)(C(c1c(F)c(F)c(P)c(F)c1F)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F10O4PS2/c10-2-1(3(11)5(13)6(24)4(2)12)7(25(20,21)8(14,15)16)26(22,23)9(17,18)19/h7H,24H2
InChIKeyIUPACUKTGRORSU-UHFFFAOYSA-N
XLogP2.61
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane?
The IUPAC name of [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane (CID 89295566) is [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane.
What is the SMILES notation for [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane?
The canonical SMILES for [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane is O=S(=O)(C(c1c(F)c(F)c(P)c(F)c1F)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane?
The InChIKey is IUPACUKTGRORSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F10O4PS2/c10-2-1(3(11)5(13)6(24)4(2)12)7(25(20,21)8(14,15)16)26(22,23)9(17,18)19/h7H,24H2.
What are the key properties of [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane?
[4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane has a molecular weight of 460.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(trifluoromethylsulfonyl)methyl]-2,3,5,6-tetrafluorophenyl]phosphane is sourced from PubChem (CID 89295566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).