(6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one

C7H7F3OS — CID 155931242

IUPAC(6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one
SMILESO=C1C=CCC[C@@H]1SC(F)(F)F
InChIInChI=1S/C7H7F3OS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1,3,6H,2,4H2/t6-/m0/s1
InChIKeyFRRYYVGRDPYDLW-LURJTMIESA-N
MW196.19 g/mol
LogP2.53
Rot. Bonds1

About (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one

(6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one (PubChem CID 155931242) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one
PubChem CID155931242
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name(6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one
SMILESO=C1C=CCC[C@@H]1SC(F)(F)F
InChIInChI=1S/C7H7F3OS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1,3,6H,2,4H2/t6-/m0/s1
InChIKeyFRRYYVGRDPYDLW-LURJTMIESA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one?
The IUPAC name of (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one (CID 155931242) is (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one is O=C1C=CCC[C@@H]1SC(F)(F)F.
What is the InChIKey of (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one?
The InChIKey is FRRYYVGRDPYDLW-LURJTMIESA-N. The full InChI is InChI=1S/C7H7F3OS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1,3,6H,2,4H2/t6-/m0/s1.
What are the key properties of (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one?
(6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one has a molecular weight of 196.19 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(trifluoromethylsulfanyl)cyclohex-2-en-1-one is sourced from PubChem (CID 155931242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).