tris[3,5-bis(trifluoromethyl)phenyl]arsane

C24H9AsF18 — CID 71356716

IUPACtris[3,5-bis(trifluoromethyl)phenyl]arsane
SMILESFC(F)(F)c1cc([As](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H9AsF18/c26-19(27,28)10-1-11(20(29,30)31)5-16(4-10)25(17-6-12(21(32,33)34)2-13(7-17)22(35,36)37)18-8-14(23(38,39)40)3-15(9-18)24(41,42)43/h1-9H
InChIKeyXNNUPGMXGLEJAS-UHFFFAOYSA-N
MW714.22 g/mol
LogP8.32
Rot. Bonds3

About tris[3,5-bis(trifluoromethyl)phenyl]arsane

tris[3,5-bis(trifluoromethyl)phenyl]arsane (PubChem CID 71356716) has the molecular formula C24H9AsF18 and a molecular weight of 714.22 g/mol. Its IUPAC name is tris[3,5-bis(trifluoromethyl)phenyl]arsane.

Molecular Properties

Compound Nametris[3,5-bis(trifluoromethyl)phenyl]arsane
PubChem CID71356716
Molecular FormulaC24H9AsF18
Molecular Weight714.22 g/mol
Exact Mass713.96
IUPAC Nametris[3,5-bis(trifluoromethyl)phenyl]arsane
SMILESFC(F)(F)c1cc([As](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H9AsF18/c26-19(27,28)10-1-11(20(29,30)31)5-16(4-10)25(17-6-12(21(32,33)34)2-13(7-17)22(35,36)37)18-8-14(23(38,39)40)3-15(9-18)24(41,42)43/h1-9H
InChIKeyXNNUPGMXGLEJAS-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.22
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium [3,5-bis(trifluoromethyl)phenyl]azanide
CID 132500492
formyl chloride;1,3,5-tris(trifluoromethyl)benzene
CID 174890856
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
CID 87457276
CID 87457276
CID 10890130
CID 10890130
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane
CID 157423256
1-N,1-N,3-N,3-N,5-N,5-N-hexakis[3,5-bis(trifluoromethyl)phenyl]benzene-1,3,5-triamine
CID 58868333
bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
CID 171930237
silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 24773254
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014
CID 171057077
CID 171057077

Frequently Asked Questions

What is the IUPAC name of tris[3,5-bis(trifluoromethyl)phenyl]arsane?
The IUPAC name of tris[3,5-bis(trifluoromethyl)phenyl]arsane (CID 71356716) is tris[3,5-bis(trifluoromethyl)phenyl]arsane.
What is the SMILES notation for tris[3,5-bis(trifluoromethyl)phenyl]arsane?
The canonical SMILES for tris[3,5-bis(trifluoromethyl)phenyl]arsane is FC(F)(F)c1cc([As](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of tris[3,5-bis(trifluoromethyl)phenyl]arsane?
The InChIKey is XNNUPGMXGLEJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H9AsF18/c26-19(27,28)10-1-11(20(29,30)31)5-16(4-10)25(17-6-12(21(32,33)34)2-13(7-17)22(35,36)37)18-8-14(23(38,39)40)3-15(9-18)24(41,42)43/h1-9H.
What are the key properties of tris[3,5-bis(trifluoromethyl)phenyl]arsane?
tris[3,5-bis(trifluoromethyl)phenyl]arsane has a molecular weight of 714.22 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3,5-bis(trifluoromethyl)phenyl]arsane is sourced from PubChem (CID 71356716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).