trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium

C3F10N+ — CID 87373169

IUPACtrifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium
SMILESFC(F)(F)C(F)(F)C(F)(F)[N+](F)(F)F
InChIInChI=1S/C3F10N/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/q+1
InChIKeyHJZUJBNCLXERQW-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.25
Rot. Bonds2

About trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium

trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium (PubChem CID 87373169) has the molecular formula C3F10N+ and a molecular weight of 240.02 g/mol. Its IUPAC name is trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium.

Molecular Properties

Compound Nametrifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium
PubChem CID87373169
Molecular FormulaC3F10N+
Molecular Weight240.02 g/mol
Exact Mass239.99
IUPAC Nametrifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium
SMILESFC(F)(F)C(F)(F)C(F)(F)[N+](F)(F)F
InChIInChI=1S/C3F10N/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/q+1
InChIKeyHJZUJBNCLXERQW-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium?
The IUPAC name of trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium (CID 87373169) is trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium.
What is the SMILES notation for trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium?
The canonical SMILES for trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium is FC(F)(F)C(F)(F)C(F)(F)[N+](F)(F)F.
What is the InChIKey of trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium?
The InChIKey is HJZUJBNCLXERQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F10N/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/q+1.
What are the key properties of trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium?
trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium has a molecular weight of 240.02 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(1,1,2,2,3,3,3-heptafluoropropyl)azanium is sourced from PubChem (CID 87373169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).