(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C10H11ClF3NOS — CID 171252358

IUPAC(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@@H]1CCOc2ccc(SC(F)(F)F)cc21
InChIInChI=1S/C10H10F3NOS.ClH/c11-10(12,13)16-6-1-2-9-7(5-6)8(14)3-4-15-9;/h1-2,5,8H,3-4,14H2;1H/t8-;/m1./s1
InChIKeyBOWMQUHTUXUXFF-DDWIOCJRSA-N
MW285.72 g/mol
LogP3.50
Rot. Bonds1

About (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252358) has the molecular formula C10H11ClF3NOS and a molecular weight of 285.72 g/mol. Its IUPAC name is (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID171252358
Molecular FormulaC10H11ClF3NOS
Molecular Weight285.72 g/mol
Exact Mass285.02
IUPAC Name(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@@H]1CCOc2ccc(SC(F)(F)F)cc21
InChIInChI=1S/C10H10F3NOS.ClH/c11-10(12,13)16-6-1-2-9-7(5-6)8(14)3-4-15-9;/h1-2,5,8H,3-4,14H2;1H/t8-;/m1./s1
InChIKeyBOWMQUHTUXUXFF-DDWIOCJRSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252358) is (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.N[C@@H]1CCOc2ccc(SC(F)(F)F)cc21.
What is the InChIKey of (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is BOWMQUHTUXUXFF-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F3NOS.ClH/c11-10(12,13)16-6-1-2-9-7(5-6)8(14)3-4-15-9;/h1-2,5,8H,3-4,14H2;1H/t8-;/m1./s1.
What are the key properties of (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 285.72 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).