[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium

C13H15FNO+ — CID 6954539

IUPAC[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium
SMILES[NH3+]CC[C@@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H14FNO/c14-11-5-3-10(4-6-11)12(7-8-15)13-2-1-9-16-13/h1-6,9,12H,7-8,15H2/p+1/t12-/m0/s1
InChIKeyZLSUIZBQNWPKTJ-LBPRGKRZSA-O
MW220.27 g/mol
LogP2.18
Rot. Bonds4

About [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium

[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium (PubChem CID 6954539) has the molecular formula C13H15FNO+ and a molecular weight of 220.27 g/mol. Its IUPAC name is [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium.

Molecular Properties

Compound Name[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium
PubChem CID6954539
Molecular FormulaC13H15FNO+
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium
SMILES[NH3+]CC[C@@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H14FNO/c14-11-5-3-10(4-6-11)12(7-8-15)13-2-1-9-16-13/h1-6,9,12H,7-8,15H2/p+1/t12-/m0/s1
InChIKeyZLSUIZBQNWPKTJ-LBPRGKRZSA-O
XLogP2.18
TPSA40.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium?
The IUPAC name of [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium (CID 6954539) is [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium.
What is the SMILES notation for [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium?
The canonical SMILES for [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium is [NH3+]CC[C@@H](c1ccc(F)cc1)c1ccco1.
What is the InChIKey of [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium?
The InChIKey is ZLSUIZBQNWPKTJ-LBPRGKRZSA-O. The full InChI is InChI=1S/C13H14FNO/c14-11-5-3-10(4-6-11)12(7-8-15)13-2-1-9-16-13/h1-6,9,12H,7-8,15H2/p+1/t12-/m0/s1.
What are the key properties of [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium?
[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium has a molecular weight of 220.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]azanium is sourced from PubChem (CID 6954539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).