(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine

C11H9ClFNS — CID 171229047

IUPAC(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClFNS/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11H,14H2/t11-/m1/s1
InChIKeyLKONPSXWCJEPNG-LLVKDONJSA-N
MW241.72 g/mol
LogP3.59
Rot. Bonds2

About (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine

(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine (PubChem CID 171229047) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
PubChem CID171229047
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClFNS/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11H,14H2/t11-/m1/s1
InChIKeyLKONPSXWCJEPNG-LLVKDONJSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
1-(4-chloro-3-fluorophenoxy)-1-thiophen-3-ylpropan-2-amine
CID 82716776
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine (CID 171229047) is (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine is N[C@@H](c1ccsc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine?
The InChIKey is LKONPSXWCJEPNG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11H,14H2/t11-/m1/s1.
What are the key properties of (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine?
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine has a molecular weight of 241.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171229047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).