(2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium

C9H11F3N+ — CID 23123674

IUPAC(2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium
SMILESCC[NH+](CF)c1ccc(F)cc1F
InChIInChI=1S/C9H10F3N/c1-2-13(6-10)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3/p+1
InChIKeyBYPGRBQESIZVMY-UHFFFAOYSA-O
MW190.19 g/mol
LogP1.43
Rot. Bonds3

About (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium

(2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium (PubChem CID 23123674) has the molecular formula C9H11F3N+ and a molecular weight of 190.19 g/mol. Its IUPAC name is (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium.

Molecular Properties

Compound Name(2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium
PubChem CID23123674
Molecular FormulaC9H11F3N+
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium
SMILESCC[NH+](CF)c1ccc(F)cc1F
InChIInChI=1S/C9H10F3N/c1-2-13(6-10)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3/p+1
InChIKeyBYPGRBQESIZVMY-UHFFFAOYSA-O
XLogP1.43
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,4-difluorophenyl)-(fluoromethyl)-propylazanium
CID 23123513
(2,4-difluorophenyl)-ethyl-propylazanium;tetrakis(1,2,3,4,5,6,7-heptafluoro-9H-fluoren-9-yl)boranuide
CID 22637736
(2,4-difluorophenyl)-hexyl-nonylazanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637379
2-ethyl-1,4-difluorobenzene
CID 23202513
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
1-(ethylsulfanylmethyl)-2,4-difluorobenzene
CID 91657273
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
2,4-difluoro-1-pentylbenzene
CID 20770613
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
2-(2,4-difluorophenyl)-2-ethylbutanoic acid
CID 64560988
magnesium;hydride;1,2,4-trifluorobenzene
CID 174647436

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium?
The IUPAC name of (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium (CID 23123674) is (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium.
What is the SMILES notation for (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium?
The canonical SMILES for (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium is CC[NH+](CF)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium?
The InChIKey is BYPGRBQESIZVMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10F3N/c1-2-13(6-10)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3/p+1.
What are the key properties of (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium?
(2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium has a molecular weight of 190.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-ethyl-(fluoromethyl)azanium is sourced from PubChem (CID 23123674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).