(2,5-difluorophenyl)-dimethyl-propylazanium

C11H16F2N+ — CID 173158771

IUPAC(2,5-difluorophenyl)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)c1cc(F)ccc1F
InChIInChI=1S/C11H16F2N/c1-4-7-14(2,3)11-8-9(12)5-6-10(11)13/h5-6,8H,4,7H2,1-3H3/q+1
InChIKeyNVFLWHJLPLKWTA-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.94
Rot. Bonds3

About (2,5-difluorophenyl)-dimethyl-propylazanium

(2,5-difluorophenyl)-dimethyl-propylazanium (PubChem CID 173158771) has the molecular formula C11H16F2N+ and a molecular weight of 200.25 g/mol. Its IUPAC name is (2,5-difluorophenyl)-dimethyl-propylazanium.

Molecular Properties

Compound Name(2,5-difluorophenyl)-dimethyl-propylazanium
PubChem CID173158771
Molecular FormulaC11H16F2N+
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name(2,5-difluorophenyl)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)c1cc(F)ccc1F
InChIInChI=1S/C11H16F2N/c1-4-7-14(2,3)11-8-9(12)5-6-10(11)13/h5-6,8H,4,7H2,1-3H3/q+1
InChIKeyNVFLWHJLPLKWTA-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1,4-difluorobenzene
CID 23202513
(2-aminoacetyl)-(2,5-difluorophenyl)-ethoxycarbonyl-methylazanium
CID 23039295
(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium
CID 23123171
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
2,5-difluoro-N-hexylaniline
CID 28877091
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
(2,4-difluorophenyl)-(fluoromethyl)-propylazanium
CID 23123513
1,4-difluoro-2-hexoxybenzene
CID 23437312
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-dimethyl-propylazanium?
The IUPAC name of (2,5-difluorophenyl)-dimethyl-propylazanium (CID 173158771) is (2,5-difluorophenyl)-dimethyl-propylazanium.
What is the SMILES notation for (2,5-difluorophenyl)-dimethyl-propylazanium?
The canonical SMILES for (2,5-difluorophenyl)-dimethyl-propylazanium is CCC[N+](C)(C)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-dimethyl-propylazanium?
The InChIKey is NVFLWHJLPLKWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N/c1-4-7-14(2,3)11-8-9(12)5-6-10(11)13/h5-6,8H,4,7H2,1-3H3/q+1.
What are the key properties of (2,5-difluorophenyl)-dimethyl-propylazanium?
(2,5-difluorophenyl)-dimethyl-propylazanium has a molecular weight of 200.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-dimethyl-propylazanium is sourced from PubChem (CID 173158771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).