2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride

C11H11ClFNOS — CID 171218453

IUPAC2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cccc(F)c1O
InChIInChI=1S/C11H10FNOS.ClH/c12-9-3-1-2-8(11(9)14)10(13)7-4-5-15-6-7;/h1-6,10,14H,13H2;1H/t10-;/m0./s1
InChIKeyKIHPALZSUMJPRS-PPHPATTJSA-N
MW259.73 g/mol
LogP3.06
Rot. Bonds2

About 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride

2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride (PubChem CID 171218453) has the molecular formula C11H11ClFNOS and a molecular weight of 259.73 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
PubChem CID171218453
Molecular FormulaC11H11ClFNOS
Molecular Weight259.73 g/mol
Exact Mass259.02
IUPAC Name2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cccc(F)c1O
InChIInChI=1S/C11H10FNOS.ClH/c12-9-3-1-2-8(11(9)14)10(13)7-4-5-15-6-7;/h1-6,10,14H,13H2;1H/t10-;/m0./s1
InChIKeyKIHPALZSUMJPRS-PPHPATTJSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(R)-amino(thiophen-3-yl)methyl]benzene-1,2-diol
CID 171220543
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756
(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171211443
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193
2-[(S)-amino(thiophen-3-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216035
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703
2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178386
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride (CID 171218453) is 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride is Cl.N[C@@H](c1ccsc1)c1cccc(F)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride?
The InChIKey is KIHPALZSUMJPRS-PPHPATTJSA-N. The full InChI is InChI=1S/C11H10FNOS.ClH/c12-9-3-1-2-8(11(9)14)10(13)7-4-5-15-6-7;/h1-6,10,14H,13H2;1H/t10-;/m0./s1.
What are the key properties of 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride?
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride has a molecular weight of 259.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride is sourced from PubChem (CID 171218453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).