[(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium

C10H17FN2+2 — CID 7263376

IUPAC[(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](C[NH3+])c1ccccc1F
InChIInChI=1S/C10H15FN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3/p+2/t10-/m0/s1
InChIKeySHXWXJULVODFTN-JTQLQIEISA-P
MW184.26 g/mol
LogP-0.75
Rot. Bonds3

About [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium

[(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium (PubChem CID 7263376) has the molecular formula C10H17FN2+2 and a molecular weight of 184.26 g/mol. Its IUPAC name is [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium
PubChem CID7263376
Molecular FormulaC10H17FN2+2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name[(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](C[NH3+])c1ccccc1F
InChIInChI=1S/C10H15FN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3/p+2/t10-/m0/s1
InChIKeySHXWXJULVODFTN-JTQLQIEISA-P
XLogP-0.75
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 138464950
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[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
CID 9161906
1-(3-bromohexan-2-yl)-2-fluorobenzene
CID 83051782
1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
bis(2-fluorophenyl)methanol
CID 18424663
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium (CID 7263376) is [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium is C[NH+](C)[C@@H](C[NH3+])c1ccccc1F.
What is the InChIKey of [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium?
The InChIKey is SHXWXJULVODFTN-JTQLQIEISA-P. The full InChI is InChI=1S/C10H15FN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3/p+2/t10-/m0/s1.
What are the key properties of [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium?
[(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium has a molecular weight of 184.26 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 7263376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).