(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride

C7H11ClFNO — CID 171212357

IUPAC(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
SMILESCc1ccc([C@H](N)CF)o1.Cl
InChIInChI=1S/C7H10FNO.ClH/c1-5-2-3-7(10-5)6(9)4-8;/h2-3,6H,4,9H2,1H3;1H/t6-;/m1./s1
InChIKeyBJYDXTWFHAWJLN-FYZOBXCZSA-N
MW179.62 g/mol
LogP1.98
Rot. Bonds2

About (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride

(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride (PubChem CID 171212357) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
PubChem CID171212357
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
SMILESCc1ccc([C@H](N)CF)o1.Cl
InChIInChI=1S/C7H10FNO.ClH/c1-5-2-3-7(10-5)6(9)4-8;/h2-3,6H,4,9H2,1H3;1H/t6-;/m1./s1
InChIKeyBJYDXTWFHAWJLN-FYZOBXCZSA-N
XLogP1.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
3-amino-3-(5-methylfuran-2-yl)propanenitrile
CID 55292038
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
CID 114874408
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
1-(5-bromofuran-2-yl)-2-fluoroethanamine
CID 83820366
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride (CID 171212357) is (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride is Cc1ccc([C@H](N)CF)o1.Cl.
What is the InChIKey of (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride?
The InChIKey is BJYDXTWFHAWJLN-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H10FNO.ClH/c1-5-2-3-7(10-5)6(9)4-8;/h2-3,6H,4,9H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride?
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride has a molecular weight of 179.62 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171212357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).