1-(2,2,2-trifluoroethylselanyl)phenanthridine

C15H10F3NSe — CID 155664091

IUPAC1-(2,2,2-trifluoroethylselanyl)phenanthridine
SMILESFC(F)(F)C[Se]c1cccc2ncc3ccccc3c12
InChIInChI=1S/C15H10F3NSe/c16-15(17,18)9-20-13-7-3-6-12-14(13)11-5-2-1-4-10(11)8-19-12/h1-8H,9H2
InChIKeyVDNSWIXQHQXIOY-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.70
Rot. Bonds2

About 1-(2,2,2-trifluoroethylselanyl)phenanthridine

1-(2,2,2-trifluoroethylselanyl)phenanthridine (PubChem CID 155664091) has the molecular formula C15H10F3NSe and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylselanyl)phenanthridine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylselanyl)phenanthridine
PubChem CID155664091
Molecular FormulaC15H10F3NSe
Molecular Weight340.21 g/mol
Exact Mass340.99
IUPAC Name1-(2,2,2-trifluoroethylselanyl)phenanthridine
SMILESFC(F)(F)C[Se]c1cccc2ncc3ccccc3c12
InChIInChI=1S/C15H10F3NSe/c16-15(17,18)9-20-13-7-3-6-12-14(13)11-5-2-1-4-10(11)8-19-12/h1-8H,9H2
InChIKeyVDNSWIXQHQXIOY-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-bromophenanthridine;hydrate
CID 175162345
phenanthridine-1-thiol
CID 135666738
2-phenanthridin-1-ylacetic acid
CID 141175956
1-(2-bromoethyl)phenanthridine
CID 67188154
phenanthridine
CID 9189
1,2-difluorophenanthridine
CID 175109006
1-phenanthridin-6-ylphenanthridine
CID 174646632
phenanthridine;platinum(2+)
CID 23616726
diphenanthridin-1-yl (Z)-but-2-enedioate
CID 175422022
phenanthridin-1-yl perchlorate
CID 88809375
1-(5-methyl-2-pyridinyl)phenanthridine
CID 118552189
4-methyl-3-phenanthridin-1-ylhexan-3-amine;hydroiodide
CID 174826272

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylselanyl)phenanthridine?
The IUPAC name of 1-(2,2,2-trifluoroethylselanyl)phenanthridine (CID 155664091) is 1-(2,2,2-trifluoroethylselanyl)phenanthridine.
What is the SMILES notation for 1-(2,2,2-trifluoroethylselanyl)phenanthridine?
The canonical SMILES for 1-(2,2,2-trifluoroethylselanyl)phenanthridine is FC(F)(F)C[Se]c1cccc2ncc3ccccc3c12.
What is the InChIKey of 1-(2,2,2-trifluoroethylselanyl)phenanthridine?
The InChIKey is VDNSWIXQHQXIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NSe/c16-15(17,18)9-20-13-7-3-6-12-14(13)11-5-2-1-4-10(11)8-19-12/h1-8H,9H2.
What are the key properties of 1-(2,2,2-trifluoroethylselanyl)phenanthridine?
1-(2,2,2-trifluoroethylselanyl)phenanthridine has a molecular weight of 340.21 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylselanyl)phenanthridine is sourced from PubChem (CID 155664091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).