[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane

C14H12AsF3 — CID 173105790

IUPAC[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
SMILESFC(F)(F)c1ccc(-c2ccc(C[AsH2])cc2)cc1
InChIInChI=1S/C14H12AsF3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16,17)18/h1-8H,9,15H2
InChIKeyOKFJCCKYCHVKAO-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.51
Rot. Bonds2

About [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane

[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane (PubChem CID 173105790) has the molecular formula C14H12AsF3 and a molecular weight of 312.17 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
PubChem CID173105790
Molecular FormulaC14H12AsF3
Molecular Weight312.17 g/mol
Exact Mass312.01
IUPAC Name[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
SMILESFC(F)(F)c1ccc(-c2ccc(C[AsH2])cc2)cc1
InChIInChI=1S/C14H12AsF3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16,17)18/h1-8H,9,15H2
InChIKeyOKFJCCKYCHVKAO-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.51
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

1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
5-[4-[4-(trifluoromethyl)phenyl]phenyl]pentanal
CID 143082498
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 71049243
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane?
The IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane (CID 173105790) is [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane?
The canonical SMILES for [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane is FC(F)(F)c1ccc(-c2ccc(C[AsH2])cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane?
The InChIKey is OKFJCCKYCHVKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12AsF3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16,17)18/h1-8H,9,15H2.
What are the key properties of [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane?
[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane has a molecular weight of 312.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane is sourced from PubChem (CID 173105790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).