(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride

C8H11ClF5NS — CID 163204291

IUPAC(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1cccc(S(F)(F)(F)(F)F)c1.Cl
InChIInChI=1S/C8H10F5NS.ClH/c1-6(14)7-3-2-4-8(5-7)15(9,10,11,12)13;/h2-6H,14H2,1H3;1H/t6-;/m1./s1
InChIKeyBJEJYZALPCTGFJ-FYZOBXCZSA-N
MW283.69 g/mol
LogP4.79
Rot. Bonds2

About (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride

(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride (PubChem CID 163204291) has the molecular formula C8H11ClF5NS and a molecular weight of 283.69 g/mol. Its IUPAC name is (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride
PubChem CID163204291
Molecular FormulaC8H11ClF5NS
Molecular Weight283.69 g/mol
Exact Mass283.02
IUPAC Name(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1cccc(S(F)(F)(F)(F)F)c1.Cl
InChIInChI=1S/C8H10F5NS.ClH/c1-6(14)7-3-2-4-8(5-7)15(9,10,11,12)13;/h2-6H,14H2,1H3;1H/t6-;/m1./s1
InChIKeyBJEJYZALPCTGFJ-FYZOBXCZSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-amine
CID 23643874
1-(3-propan-2-ylphenyl)ethanamine
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CID 88556046
CID 88556046
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
CID 168719793
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride (CID 163204291) is (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride is C[C@@H](N)c1cccc(S(F)(F)(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride?
The InChIKey is BJEJYZALPCTGFJ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10F5NS.ClH/c1-6(14)7-3-2-4-8(5-7)15(9,10,11,12)13;/h2-6H,14H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride?
(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride has a molecular weight of 283.69 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 163204291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).