N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine

C3H4F5NSe — CID 23233324

IUPACN-(1,1,2,2,2-pentafluoroethylselanyl)methanamine
SMILESCN[Se]C(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NSe/c1-9-10-3(7,8)2(4,5)6/h9H,1H3
InChIKeyXYUVGQYMKNQEJQ-UHFFFAOYSA-N
MW228.02 g/mol
LogP0.98
Rot. Bonds2

About N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine

N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine (PubChem CID 23233324) has the molecular formula C3H4F5NSe and a molecular weight of 228.02 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethylselanyl)methanamine
PubChem CID23233324
Molecular FormulaC3H4F5NSe
Molecular Weight228.02 g/mol
Exact Mass228.94
IUPAC NameN-(1,1,2,2,2-pentafluoroethylselanyl)methanamine
SMILESCN[Se]C(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5NSe/c1-9-10-3(7,8)2(4,5)6/h9H,1H3
InChIKeyXYUVGQYMKNQEJQ-UHFFFAOYSA-N
XLogP0.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.02
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine (CID 23233324) is N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine is CN[Se]C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine?
The InChIKey is XYUVGQYMKNQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5NSe/c1-9-10-3(7,8)2(4,5)6/h9H,1H3.
What are the key properties of N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine?
N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine has a molecular weight of 228.02 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethylselanyl)methanamine is sourced from PubChem (CID 23233324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).