2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol

C11H9ClFNOS — CID 131418873

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
SMILESN[C@@H](c1cccs1)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C11H9ClFNOS/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9/h1-5,10,15H,14H2/t10-/m1/s1
InChIKeyNPAFCGIRJZVYCB-SNVBAGLBSA-N
MW257.72 g/mol
LogP3.29
Rot. Bonds2

About 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol

2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol (PubChem CID 131418873) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
PubChem CID131418873
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
SMILESN[C@@H](c1cccs1)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C11H9ClFNOS/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9/h1-5,10,15H,14H2/t10-/m1/s1
InChIKeyNPAFCGIRJZVYCB-SNVBAGLBSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol 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

2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253754
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257098
3-[(R)-amino(thiophen-2-yl)methyl]-5-fluoro-4-hydroxybenzoic acid
CID 171256128
3-[(S)-amino(thiophen-2-yl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171257764
2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride
CID 171217144
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-nitrophenol;hydrochloride
CID 171258039
2-[(S)-amino(thiophen-2-yl)methyl]-4-chloroaniline
CID 171214226
6-[(S)-amino(thiophen-2-yl)methyl]-4-bromo-2,3-difluorophenol
CID 171257937
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
2-[(1S)-1-amino-2,2-difluoroethyl]-4-chloro-6-fluorophenol
CID 130817305
2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol
CID 171256027

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol (CID 131418873) is 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol is N[C@@H](c1cccs1)c1cc(Cl)cc(F)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol?
The InChIKey is NPAFCGIRJZVYCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9/h1-5,10,15H,14H2/t10-/m1/s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol?
2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol has a molecular weight of 257.72 g/mol, XLogP of 3.29, 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-2-yl)methyl]-4-chloro-6-fluorophenol is sourced from PubChem (CID 131418873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).