1-phenylselanyl-3-(trifluoromethoxy)benzene

C13H9F3OSe — CID 71761676

IUPAC1-phenylselanyl-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc([Se]c2ccccc2)c1
InChIInChI=1S/C13H9F3OSe/c14-13(15,16)17-10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H
InChIKeyRMVOUAHERZCAFW-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.24
Rot. Bonds3

About 1-phenylselanyl-3-(trifluoromethoxy)benzene

1-phenylselanyl-3-(trifluoromethoxy)benzene (PubChem CID 71761676) has the molecular formula C13H9F3OSe and a molecular weight of 317.17 g/mol. Its IUPAC name is 1-phenylselanyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-phenylselanyl-3-(trifluoromethoxy)benzene
PubChem CID71761676
Molecular FormulaC13H9F3OSe
Molecular Weight317.17 g/mol
Exact Mass317.98
IUPAC Name1-phenylselanyl-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc([Se]c2ccccc2)c1
InChIInChI=1S/C13H9F3OSe/c14-13(15,16)17-10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H
InChIKeyRMVOUAHERZCAFW-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoromethoxybenzene
CID 157402708
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
trifluoromethoxybenzene fluoride
CID 158305019
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
ethane;3-(trifluoromethoxy)phenol
CID 143201974
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-phenylselanyl-3-(trifluoromethoxy)benzene (CID 71761676) is 1-phenylselanyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-phenylselanyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-phenylselanyl-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cccc([Se]c2ccccc2)c1.
What is the InChIKey of 1-phenylselanyl-3-(trifluoromethoxy)benzene?
The InChIKey is RMVOUAHERZCAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3OSe/c14-13(15,16)17-10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H.
What are the key properties of 1-phenylselanyl-3-(trifluoromethoxy)benzene?
1-phenylselanyl-3-(trifluoromethoxy)benzene has a molecular weight of 317.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 71761676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).