(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium

C11H11F7N+ — CID 23123171

IUPAC(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium
SMILESCCC[NH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F7N/c1-2-5-19(11(17,18)10(14,15)16)9-6-7(12)3-4-8(9)13/h3-4,6H,2,5H2,1H3/p+1
InChIKeyCKVYEKOEDWDKMW-UHFFFAOYSA-O
MW290.20 g/mol
LogP3.05
Rot. Bonds4

About (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium

(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium (PubChem CID 23123171) has the molecular formula C11H11F7N+ and a molecular weight of 290.20 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium
PubChem CID23123171
Molecular FormulaC11H11F7N+
Molecular Weight290.20 g/mol
Exact Mass290.08
IUPAC Name(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium
SMILESCCC[NH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F7N/c1-2-5-19(11(17,18)10(14,15)16)9-6-7(12)3-4-8(9)13/h3-4,6H,2,5H2,1H3/p+1
InChIKeyCKVYEKOEDWDKMW-UHFFFAOYSA-O
XLogP3.05
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium;tetrakis(1,1,2,2,3,3-hexafluorononyl)boranuide
CID 22638120
1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
CID 23123182
(2,4-difluorophenyl)-(fluoromethyl)-propylazanium
CID 23123513
(2,5-difluorophenyl)-(fluoromethyl)-(1,1,2,2,3,3-hexafluorononyl)azanium;tetrakis(2-methylpentyl)alumanuide
CID 18388725
(2,5-difluorophenyl)-dimethyl-propylazanium
CID 173158771
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
2-ethyl-1,4-difluorobenzene
CID 23202513
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium?
The IUPAC name of (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium (CID 23123171) is (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium.
What is the SMILES notation for (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium?
The canonical SMILES for (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium is CCC[NH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium?
The InChIKey is CKVYEKOEDWDKMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10F7N/c1-2-5-19(11(17,18)10(14,15)16)9-6-7(12)3-4-8(9)13/h3-4,6H,2,5H2,1H3/p+1.
What are the key properties of (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium?
(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium has a molecular weight of 290.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium is sourced from PubChem (CID 23123171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).