(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine

C11H7F4NS — CID 171210488

IUPAC(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H7F4NS/c12-6-3-7(13)10(15)8(9(6)14)11(16)5-1-2-17-4-5/h1-4,11H,16H2/t11-/m1/s1
InChIKeyAJBBRBGNLMXZHH-LLVKDONJSA-N
MW261.24 g/mol
LogP3.35
Rot. Bonds2

About (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine

(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine (PubChem CID 171210488) has the molecular formula C11H7F4NS and a molecular weight of 261.24 g/mol. Its IUPAC name is (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
PubChem CID171210488
Molecular FormulaC11H7F4NS
Molecular Weight261.24 g/mol
Exact Mass261.02
IUPAC Name(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H7F4NS/c12-6-3-7(13)10(15)8(9(6)14)11(16)5-1-2-17-4-5/h1-4,11H,16H2/t11-/m1/s1
InChIKeyAJBBRBGNLMXZHH-LLVKDONJSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine
CID 171224684
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171216151
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
2-[(S)-amino(thiophen-3-yl)methyl]benzene-1,3,5-triol;hydrochloride
CID 171217050
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674

Frequently Asked Questions

What is the IUPAC name of (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine (CID 171210488) is (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine?
The InChIKey is AJBBRBGNLMXZHH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H7F4NS/c12-6-3-7(13)10(15)8(9(6)14)11(16)5-1-2-17-4-5/h1-4,11H,16H2/t11-/m1/s1.
What are the key properties of (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine?
(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine has a molecular weight of 261.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171210488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).