[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium

C10H15FN+ — CID 7449312

IUPAC[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
SMILESC[C@@H]([NH3+])CCc1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3,12H2,1H3/p+1/t8-/m1/s1
InChIKeyLRNPPJJSSVMFNU-MRVPVSSYSA-O
MW168.24 g/mol
LogP1.39
Rot. Bonds3

About [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium

[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium (PubChem CID 7449312) has the molecular formula C10H15FN+ and a molecular weight of 168.24 g/mol. Its IUPAC name is [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
PubChem CID7449312
Molecular FormulaC10H15FN+
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
SMILESC[C@@H]([NH3+])CCc1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3,12H2,1H3/p+1/t8-/m1/s1
InChIKeyLRNPPJJSSVMFNU-MRVPVSSYSA-O
XLogP1.39
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-(3-iodobutyl)benzene
CID 162353142
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
1-(3-chloro-4-methylpentyl)-4-fluorobenzene
CID 63460750
1-fluoro-4-propylbenzene
CID 2737505
4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol
CID 112517961
1-[3-chloro-3-[1-chloro-3-(4-fluorophenyl)propoxy]propyl]-4-fluorobenzene
CID 139900232
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
2-(4-fluorophenyl)ethylazanium iodide
CID 155288874
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
(2R)-2-[4-(4-fluorophenyl)butan-2-ylamino]propanoic acid
CID 122038156
1-[3-bromo-4-(4-fluorophenyl)butyl]-4-methylbenzene
CID 63542269
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium?
The IUPAC name of [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium (CID 7449312) is [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium.
What is the SMILES notation for [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium?
The canonical SMILES for [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium is C[C@@H]([NH3+])CCc1ccc(F)cc1.
What is the InChIKey of [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium?
The InChIKey is LRNPPJJSSVMFNU-MRVPVSSYSA-O. The full InChI is InChI=1S/C10H14FN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3,12H2,1H3/p+1/t8-/m1/s1.
What are the key properties of [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium?
[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium has a molecular weight of 168.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(4-fluorophenyl)butan-2-yl]azanium is sourced from PubChem (CID 7449312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).