(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

C13H8F7NS — CID 171216151

IUPAC(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H8F7NS/c14-9-4-7(12(15,16)17)3-8(13(18,19)20)10(9)11(21)6-1-2-22-5-6/h1-5,11H,21H2/t11-/m1/s1
InChIKeyZXXHWAZBICEHEM-LLVKDONJSA-N
MW343.27 g/mol
LogP4.97
Rot. Bonds2

About (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine

(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171216151) has the molecular formula C13H8F7NS and a molecular weight of 343.27 g/mol. Its IUPAC name is (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
PubChem CID171216151
Molecular FormulaC13H8F7NS
Molecular Weight343.27 g/mol
Exact Mass343.03
IUPAC Name(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H8F7NS/c14-9-4-7(12(15,16)17)3-8(13(18,19)20)10(9)11(21)6-1-2-22-5-6/h1-5,11H,21H2/t11-/m1/s1
InChIKeyZXXHWAZBICEHEM-LLVKDONJSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171214666
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
CID 171210488
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171228865
(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171234952
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171227181
(R)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171207606
(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)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171245009

Frequently Asked Questions

What is the IUPAC name of (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine (CID 171216151) is (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is ZXXHWAZBICEHEM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H8F7NS/c14-9-4-7(12(15,16)17)3-8(13(18,19)20)10(9)11(21)6-1-2-22-5-6/h1-5,11H,21H2/t11-/m1/s1.
What are the key properties of (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine?
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine has a molecular weight of 343.27 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171216151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).