(2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide

C10H9F3O2S — CID 155933155

IUPAC(2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESC[C@H]1Cc2ccc(C(F)(F)F)cc2S1(=O)=O
InChIInChI=1S/C10H9F3O2S/c1-6-4-7-2-3-8(10(11,12)13)5-9(7)16(6,14)15/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyGFXXZABFFSVOTO-LURJTMIESA-N
MW250.24 g/mol
LogP2.42
Rot. Bonds

About (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide

(2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide (PubChem CID 155933155) has the molecular formula C10H9F3O2S and a molecular weight of 250.24 g/mol. Its IUPAC name is (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name(2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
PubChem CID155933155
Molecular FormulaC10H9F3O2S
Molecular Weight250.24 g/mol
Exact Mass250.03
IUPAC Name(2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESC[C@H]1Cc2ccc(C(F)(F)F)cc2S1(=O)=O
InChIInChI=1S/C10H9F3O2S/c1-6-4-7-2-3-8(10(11,12)13)5-9(7)16(6,14)15/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyGFXXZABFFSVOTO-LURJTMIESA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The IUPAC name of (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide (CID 155933155) is (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide is C[C@H]1Cc2ccc(C(F)(F)F)cc2S1(=O)=O.
What is the InChIKey of (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The InChIKey is GFXXZABFFSVOTO-LURJTMIESA-N. The full InChI is InChI=1S/C10H9F3O2S/c1-6-4-7-2-3-8(10(11,12)13)5-9(7)16(6,14)15/h2-3,5-6H,4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide?
(2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide has a molecular weight of 250.24 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 155933155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).