(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride

C8H13ClFNO — CID 171213530

IUPAC(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
SMILESCCc1ccc([C@H](N)CF)o1.Cl
InChIInChI=1S/C8H12FNO.ClH/c1-2-6-3-4-8(11-6)7(10)5-9;/h3-4,7H,2,5,10H2,1H3;1H/t7-;/m1./s1
InChIKeyFKFPLXHWWCGBJQ-OGFXRTJISA-N
MW193.65 g/mol
LogP2.23
Rot. Bonds3

About (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride

(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride (PubChem CID 171213530) has the molecular formula C8H13ClFNO and a molecular weight of 193.65 g/mol. Its IUPAC name is (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
PubChem CID171213530
Molecular FormulaC8H13ClFNO
Molecular Weight193.65 g/mol
Exact Mass193.07
IUPAC Name(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
SMILESCCc1ccc([C@H](N)CF)o1.Cl
InChIInChI=1S/C8H12FNO.ClH/c1-2-6-3-4-8(11-6)7(10)5-9;/h3-4,7H,2,5,10H2,1H3;1H/t7-;/m1./s1
InChIKeyFKFPLXHWWCGBJQ-OGFXRTJISA-N
XLogP2.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 171233167
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
CID 62345601
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362
1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
CID 62678424
1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
CID 62346381
(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244164
(3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250896

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride (CID 171213530) is (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride is CCc1ccc([C@H](N)CF)o1.Cl.
What is the InChIKey of (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride?
The InChIKey is FKFPLXHWWCGBJQ-OGFXRTJISA-N. The full InChI is InChI=1S/C8H12FNO.ClH/c1-2-6-3-4-8(11-6)7(10)5-9;/h3-4,7H,2,5,10H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride?
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride has a molecular weight of 193.65 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171213530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).