(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride

C9H10ClF4NS — CID 171211767

IUPAC(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1ccccc1SC(F)(F)F
InChIInChI=1S/C9H9F4NS.ClH/c10-5-7(14)6-3-1-2-4-8(6)15-9(11,12)13;/h1-4,7H,5,14H2;1H/t7-;/m1./s1
InChIKeyMGZVRYHPMFECEU-OGFXRTJISA-N
MW275.70 g/mol
LogP3.69
Rot. Bonds3

About (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride

(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride (PubChem CID 171211767) has the molecular formula C9H10ClF4NS and a molecular weight of 275.70 g/mol. Its IUPAC name is (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
PubChem CID171211767
Molecular FormulaC9H10ClF4NS
Molecular Weight275.70 g/mol
Exact Mass275.02
IUPAC Name(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1ccccc1SC(F)(F)F
InChIInChI=1S/C9H9F4NS.ClH/c10-5-7(14)6-3-1-2-4-8(6)15-9(11,12)13;/h1-4,7H,5,14H2;1H/t7-;/m1./s1
InChIKeyMGZVRYHPMFECEU-OGFXRTJISA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171211776
(1S)-1-[2-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171231380
(1S)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171231397
(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 171211790
ethyl (3S)-3-amino-3-[2-(trifluoromethylsulfanyl)phenyl]propanoate
CID 171231427
1-(dichloromethyl)-2-(trifluoromethylsulfanyl)benzene
CID 121233972
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
CID 171211805
(2S)-2-(methylamino)-2-[2-(trifluoromethylsulfanyl)phenyl]ethanol
CID 165353098
(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 171231404
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propan-1-ol;hydrochloride
CID 171234540

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride (CID 171211767) is (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride is Cl.N[C@H](CF)c1ccccc1SC(F)(F)F.
What is the InChIKey of (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride?
The InChIKey is MGZVRYHPMFECEU-OGFXRTJISA-N. The full InChI is InChI=1S/C9H9F4NS.ClH/c10-5-7(14)6-3-1-2-4-8(6)15-9(11,12)13;/h1-4,7H,5,14H2;1H/t7-;/m1./s1.
What are the key properties of (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride?
(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride has a molecular weight of 275.70 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171211767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).