1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride

C6H9ClFNS — CID 91927262

IUPAC1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(F)s1.Cl
InChIInChI=1S/C6H8FNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H
InChIKeySNDYIUGFIXSLQU-UHFFFAOYSA-N
MW181.66 g/mol
LogP2.33
Rot. Bonds1

About 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride

1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride (PubChem CID 91927262) has the molecular formula C6H9ClFNS and a molecular weight of 181.66 g/mol. Its IUPAC name is 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride
PubChem CID91927262
Molecular FormulaC6H9ClFNS
Molecular Weight181.66 g/mol
Exact Mass181.01
IUPAC Name1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(F)s1.Cl
InChIInChI=1S/C6H8FNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H
InChIKeySNDYIUGFIXSLQU-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine;hydrochloride
CID 135377444
(3S)-3-amino-3-(5-fluorothiophen-2-yl)propan-1-ol
CID 130898203
(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid
CID 130682565
(1S)-3-amino-1-(5-fluorothiophen-2-yl)propan-1-ol
CID 135178511
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol
CID 91927202
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378
5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
CID 92763509
1-(5-cyclopentylthiophen-2-yl)ethanamine
CID 83831089
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334
(1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine
CID 170899597
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride (CID 91927262) is 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride is CC(N)c1ccc(F)s1.Cl.
What is the InChIKey of 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride?
The InChIKey is SNDYIUGFIXSLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNS.ClH/c1-4(8)5-2-3-6(7)9-5;/h2-4H,8H2,1H3;1H.
What are the key properties of 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride?
1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 91927262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).