difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium

C8F20N+ — CID 87970147

IUPACdifluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F20N/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)7(23,24)29(27,28)8(25,26)6(20,21)22/q+1
InChIKeyAXNZFVKENCBMNU-UHFFFAOYSA-N
MW490.06 g/mol
LogP6.42
Rot. Bonds6

About difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium

difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium (PubChem CID 87970147) has the molecular formula C8F20N+ and a molecular weight of 490.06 g/mol. Its IUPAC name is difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium.

Molecular Properties

Compound Namedifluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium
PubChem CID87970147
Molecular FormulaC8F20N+
Molecular Weight490.06 g/mol
Exact Mass489.97
IUPAC Namedifluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F20N/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)7(23,24)29(27,28)8(25,26)6(20,21)22/q+1
InChIKeyAXNZFVKENCBMNU-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.06
LogP ≤ 56.42
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 difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium with MolForge

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

Launch Full Analysis

Related Compounds

trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azanium
CID 87372234
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl-tris(trifluoromethyl)azanium
CID 87628816
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl-tris(trifluoromethyl)azanium bromide
CID 163366276
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
fluoro-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)-(2,3,4,5,6-pentafluorophenyl)azanium
CID 172805316
difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium
CID 172816411
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium
CID 22348860

Frequently Asked Questions

What is the IUPAC name of difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?
The IUPAC name of difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium (CID 87970147) is difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium.
What is the SMILES notation for difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?
The canonical SMILES for difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?
The InChIKey is AXNZFVKENCBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F20N/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)7(23,24)29(27,28)8(25,26)6(20,21)22/q+1.
What are the key properties of difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?
difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium has a molecular weight of 490.06 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(1,1,2,2,2-pentafluoroethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium is sourced from PubChem (CID 87970147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).