(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride

C12H10ClF4NS — CID 171228701

IUPAC(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C12H9F4NS.ClH/c13-8-1-2-10(12(14,15)16)9(5-8)11(17)7-3-4-18-6-7;/h1-6,11H,17H2;1H/t11-;/m0./s1
InChIKeyYEBYYJLTHLAKIQ-MERQFXBCSA-N
MW311.73 g/mol
LogP4.38
Rot. Bonds2

About (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride

(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171228701) has the molecular formula C12H10ClF4NS and a molecular weight of 311.73 g/mol. Its IUPAC name is (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171228701
Molecular FormulaC12H10ClF4NS
Molecular Weight311.73 g/mol
Exact Mass311.02
IUPAC Name(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C12H9F4NS.ClH/c13-8-1-2-10(12(14,15)16)9(5-8)11(17)7-3-4-18-6-7;/h1-6,11H,17H2;1H/t11-;/m0./s1
InChIKeyYEBYYJLTHLAKIQ-MERQFXBCSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171206031
(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 107360058
(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209418
(S)-(4-fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171205336
(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171216151
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171228865
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924

Frequently Asked Questions

What is the IUPAC name of (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride (CID 171228701) is (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccsc1)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is YEBYYJLTHLAKIQ-MERQFXBCSA-N. The full InChI is InChI=1S/C12H9F4NS.ClH/c13-8-1-2-10(12(14,15)16)9(5-8)11(17)7-3-4-18-6-7;/h1-6,11H,17H2;1H/t11-;/m0./s1.
What are the key properties of (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 311.73 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171228701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).