(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H7ClF5NS — CID 171210314

IUPAC(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H6F5NS.ClH/c12-6-5(11(17)4-1-2-18-3-4)7(13)9(15)10(16)8(6)14;/h1-3,11H,17H2;1H/t11-;/m1./s1
InChIKeyFGHNSEGUVVZDPS-RFVHGSKJSA-N
MW315.69 g/mol
LogP3.91
Rot. Bonds2

About (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171210314) has the molecular formula C11H7ClF5NS and a molecular weight of 315.69 g/mol. Its IUPAC name is (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171210314
Molecular FormulaC11H7ClF5NS
Molecular Weight315.69 g/mol
Exact Mass314.99
IUPAC Name(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H6F5NS.ClH/c12-6-5(11(17)4-1-2-18-3-4)7(13)9(15)10(16)8(6)14;/h1-3,11H,17H2;1H/t11-;/m1./s1
InChIKeyFGHNSEGUVVZDPS-RFVHGSKJSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.69
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(S)-(2,3,5,6-tetrafluorophenyl)-thiophen-3-ylmethanamine
CID 171210488
(R)-thiophen-3-yl-(2,3,6-trifluorophenyl)methanamine
CID 171224684
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
2-[(S)-amino(thiophen-3-yl)methyl]benzene-1,3,5-triol;hydrochloride
CID 171217050
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171228865
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-3-ylmethanamine
CID 104988232
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924

Frequently Asked Questions

What is the IUPAC name of (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171210314) is (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is FGHNSEGUVVZDPS-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H6F5NS.ClH/c12-6-5(11(17)4-1-2-18-3-4)7(13)9(15)10(16)8(6)14;/h1-3,11H,17H2;1H/t11-;/m1./s1.
What are the key properties of (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 315.69 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171210314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).