rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine

C2HF6NRb+ — CID 173177447

IUPACrubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine
SMILESFC(F)(F)NC(F)(F)F.[Rb+]
InChIInChI=1S/C2HF6N.Rb/c3-1(4,5)9-2(6,7)8;/h9H;/q;+1
InChIKeyWASCMYYQNJZMRH-UHFFFAOYSA-N
MW238.49 g/mol
LogP-1.38
Rot. Bonds

About rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine

rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine (PubChem CID 173177447) has the molecular formula C2HF6NRb+ and a molecular weight of 238.49 g/mol. Its IUPAC name is rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine.

Molecular Properties

Compound Namerubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine
PubChem CID173177447
Molecular FormulaC2HF6NRb+
Molecular Weight238.49 g/mol
Exact Mass237.91
IUPAC Namerubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine
SMILESFC(F)(F)NC(F)(F)F.[Rb+]
InChIInChI=1S/C2HF6N.Rb/c3-1(4,5)9-2(6,7)8;/h9H;/q;+1
InChIKeyWASCMYYQNJZMRH-UHFFFAOYSA-N
XLogP-1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.49
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The IUPAC name of rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine (CID 173177447) is rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine.
What is the SMILES notation for rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The canonical SMILES for rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine is FC(F)(F)NC(F)(F)F.[Rb+].
What is the InChIKey of rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The InChIKey is WASCMYYQNJZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6N.Rb/c3-1(4,5)9-2(6,7)8;/h9H;/q;+1.
What are the key properties of rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine has a molecular weight of 238.49 g/mol, XLogP of -1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for rubidium(1+);1,1,1-trifluoro-N-(trifluoromethyl)methanamine is sourced from PubChem (CID 173177447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).