2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride

C6H9ClFNS — CID 155893285

IUPAC2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1sccc1F
InChIInChI=1S/C6H8FNS.ClH/c7-5-2-4-9-6(5)1-3-8;/h2,4H,1,3,8H2;1H
InChIKeyVUJNZRLKVCBQEG-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.81
Rot. Bonds2

About 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride

2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride (PubChem CID 155893285) has the molecular formula C6H9ClFNS and a molecular weight of 181.66 g/mol. Its IUPAC name is 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride
PubChem CID155893285
Molecular FormulaC6H9ClFNS
Molecular Weight181.66 g/mol
Exact Mass181.01
IUPAC Name2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1sccc1F
InChIInChI=1S/C6H8FNS.ClH/c7-5-2-4-9-6(5)1-3-8;/h2,4H,1,3,8H2;1H
InChIKeyVUJNZRLKVCBQEG-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride (CID 155893285) is 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride is Cl.NCCc1sccc1F.
What is the InChIKey of 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride?
The InChIKey is VUJNZRLKVCBQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNS.ClH/c7-5-2-4-9-6(5)1-3-8;/h2,4H,1,3,8H2;1H.
What are the key properties of 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride?
2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiophen-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 155893285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).