(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine

C12H9F4NOS — CID 171216255

IUPAC(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C12H9F4NOS/c13-10-2-1-8(18-12(14,15)16)5-9(10)11(17)7-3-4-19-6-7/h1-6,11H,17H2/t11-/m1/s1
InChIKeyNRMHLAGTXSZZTA-LLVKDONJSA-N
MW291.27 g/mol
LogP3.83
Rot. Bonds3

About (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine

(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171216255) has the molecular formula C12H9F4NOS and a molecular weight of 291.27 g/mol. Its IUPAC name is (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
PubChem CID171216255
Molecular FormulaC12H9F4NOS
Molecular Weight291.27 g/mol
Exact Mass291.03
IUPAC Name(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C12H9F4NOS/c13-10-2-1-8(18-12(14,15)16)5-9(10)11(17)7-3-4-19-6-7/h1-6,11H,17H2/t11-/m1/s1
InChIKeyNRMHLAGTXSZZTA-LLVKDONJSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171216256
(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171236225
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
CID 171225553
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779

Frequently Asked Questions

What is the IUPAC name of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine (CID 171216255) is (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is NRMHLAGTXSZZTA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H9F4NOS/c13-10-2-1-8(18-12(14,15)16)5-9(10)11(17)7-3-4-19-6-7/h1-6,11H,17H2/t11-/m1/s1.
What are the key properties of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine has a molecular weight of 291.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171216255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).