(2,4-difluorophenyl)-(fluoromethyl)-propylazanium

C10H13F3N+ — CID 23123513

IUPAC(2,4-difluorophenyl)-(fluoromethyl)-propylazanium
SMILESCCC[NH+](CF)c1ccc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-2-5-14(7-11)10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7H2,1H3/p+1
InChIKeySETFQKOVQWCKPY-UHFFFAOYSA-O
MW204.22 g/mol
LogP1.82
Rot. Bonds4

About (2,4-difluorophenyl)-(fluoromethyl)-propylazanium

(2,4-difluorophenyl)-(fluoromethyl)-propylazanium (PubChem CID 23123513) has the molecular formula C10H13F3N+ and a molecular weight of 204.22 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(fluoromethyl)-propylazanium.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(fluoromethyl)-propylazanium
PubChem CID23123513
Molecular FormulaC10H13F3N+
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(2,4-difluorophenyl)-(fluoromethyl)-propylazanium
SMILESCCC[NH+](CF)c1ccc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-2-5-14(7-11)10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7H2,1H3/p+1
InChIKeySETFQKOVQWCKPY-UHFFFAOYSA-O
XLogP1.82
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.82
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)-ethyl-(fluoromethyl)azanium
CID 23123674
(2,4-difluorophenyl)-ethyl-propylazanium;tetrakis(1,2,3,4,5,6,7-heptafluoro-9H-fluoren-9-yl)boranuide
CID 22637736
(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium
CID 23123171
(2,4-difluorophenyl)-hexyl-nonylazanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637379
2,4-difluoro-1-pentylbenzene
CID 20770613
dioctadecyl-(2,4,6-trifluorophenyl)azanium
CID 22257497
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
(2,5-difluorophenyl)-dimethyl-propylazanium
CID 173158771
CID 90173962
CID 90173962
2-ethyl-1,4-difluorobenzene
CID 23202513
(2,4-difluorophenyl)-bis(2-methylbutan-2-yl)phosphane
CID 22925469
[2-(diethoxyboranyloxymethyl)-4-fluorophenyl]azanium
CID 143501390

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(fluoromethyl)-propylazanium?
The IUPAC name of (2,4-difluorophenyl)-(fluoromethyl)-propylazanium (CID 23123513) is (2,4-difluorophenyl)-(fluoromethyl)-propylazanium.
What is the SMILES notation for (2,4-difluorophenyl)-(fluoromethyl)-propylazanium?
The canonical SMILES for (2,4-difluorophenyl)-(fluoromethyl)-propylazanium is CCC[NH+](CF)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(fluoromethyl)-propylazanium?
The InChIKey is SETFQKOVQWCKPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12F3N/c1-2-5-14(7-11)10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7H2,1H3/p+1.
What are the key properties of (2,4-difluorophenyl)-(fluoromethyl)-propylazanium?
(2,4-difluorophenyl)-(fluoromethyl)-propylazanium has a molecular weight of 204.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(fluoromethyl)-propylazanium is sourced from PubChem (CID 23123513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).