(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine

C11H8F3NS — CID 171224684

IUPAC(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine
SMILESN[C@@H](c1ccsc1)c1c(F)ccc(F)c1F
InChIInChI=1S/C11H8F3NS/c12-7-1-2-8(13)10(14)9(7)11(15)6-3-4-16-5-6/h1-5,11H,15H2/t11-/m0/s1
InChIKeyJOPTXPLBCXGQFH-NSHDSACASA-N
MW243.25 g/mol
LogP3.21
Rot. Bonds2

About (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine

(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine (PubChem CID 171224684) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine
PubChem CID171224684
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine
SMILESN[C@@H](c1ccsc1)c1c(F)ccc(F)c1F
InChIInChI=1S/C11H8F3NS/c12-7-1-2-8(13)10(14)9(7)11(15)6-3-4-16-5-6/h1-5,11H,15H2/t11-/m0/s1
InChIKeyJOPTXPLBCXGQFH-NSHDSACASA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.21
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

(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
CID 171210488
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171216151
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171228865
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047

Frequently Asked Questions

What is the IUPAC name of (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine?
The IUPAC name of (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine (CID 171224684) is (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine.
What is the SMILES notation for (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine?
The canonical SMILES for (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine is N[C@@H](c1ccsc1)c1c(F)ccc(F)c1F.
What is the InChIKey of (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine?
The InChIKey is JOPTXPLBCXGQFH-NSHDSACASA-N. The full InChI is InChI=1S/C11H8F3NS/c12-7-1-2-8(13)10(14)9(7)11(15)6-3-4-16-5-6/h1-5,11H,15H2/t11-/m0/s1.
What are the key properties of (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine?
(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine has a molecular weight of 243.25 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine is sourced from PubChem (CID 171224684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).