[(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride

C6H9ClFNO — CID 135055716

IUPAC[(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride
SMILES[Cl-].[NH3+][C@H](CF)c1ccco1
InChIInChI=1S/C6H8FNO.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5H,4,8H2;1H/t5-;/m1./s1
InChIKeyJRAVEOXUZSONFO-NUBCRITNSA-N
MW165.60 g/mol
LogP-2.46
Rot. Bonds2

About [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride

[(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride (PubChem CID 135055716) has the molecular formula C6H9ClFNO and a molecular weight of 165.60 g/mol. Its IUPAC name is [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride
PubChem CID135055716
Molecular FormulaC6H9ClFNO
Molecular Weight165.60 g/mol
Exact Mass165.04
IUPAC Name[(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride
SMILES[Cl-].[NH3+][C@H](CF)c1ccco1
InChIInChI=1S/C6H8FNO.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5H,4,8H2;1H/t5-;/m1./s1
InChIKeyJRAVEOXUZSONFO-NUBCRITNSA-N
XLogP-2.46
TPSA40.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.60
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride?
The IUPAC name of [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride (CID 135055716) is [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride.
What is the SMILES notation for [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride?
The canonical SMILES for [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride is [Cl-].[NH3+][C@H](CF)c1ccco1.
What is the InChIKey of [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride?
The InChIKey is JRAVEOXUZSONFO-NUBCRITNSA-N. The full InChI is InChI=1S/C6H8FNO.ClH/c7-4-5(8)6-2-1-3-9-6;/h1-3,5H,4,8H2;1H/t5-;/m1./s1.
What are the key properties of [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride?
[(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride has a molecular weight of 165.60 g/mol, XLogP of -2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride is sourced from PubChem (CID 135055716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).