(1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride

C6H9ClFNO — CID 171212090

IUPAC(1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride
SMILESCl.N[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
LogP1.67
Rot. Bonds2

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

(1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride (PubChem CID 171212090) 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)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride
PubChem CID171212090
Molecular FormulaC6H9ClFNO
Molecular Weight165.60 g/mol
Exact Mass165.04
IUPAC Name(1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride
SMILESCl.N[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
XLogP1.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.60
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride (CID 171212090) is (1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride is Cl.N[C@H](CF)c1ccco1.
What is the InChIKey of (1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride?
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)ethanamine;hydrochloride?
(1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride has a molecular weight of 165.60 g/mol, XLogP of 1.67, 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-(furan-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171212090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).