(3R)-3-(trifluoromethylsulfanyl)cyclohexene

C7H9F3S — CID 125469933

IUPAC(3R)-3-(trifluoromethylsulfanyl)cyclohexene
SMILESFC(F)(F)S[C@H]1C=CCCC1
InChIInChI=1S/C7H9F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2/t6-/m0/s1
InChIKeyHYPOCFHENIOPJG-LURJTMIESA-N
MW182.21 g/mol
LogP3.35
Rot. Bonds1

About (3R)-3-(trifluoromethylsulfanyl)cyclohexene

(3R)-3-(trifluoromethylsulfanyl)cyclohexene (PubChem CID 125469933) has the molecular formula C7H9F3S and a molecular weight of 182.21 g/mol. Its IUPAC name is (3R)-3-(trifluoromethylsulfanyl)cyclohexene.

Molecular Properties

Compound Name(3R)-3-(trifluoromethylsulfanyl)cyclohexene
PubChem CID125469933
Molecular FormulaC7H9F3S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name(3R)-3-(trifluoromethylsulfanyl)cyclohexene
SMILESFC(F)(F)S[C@H]1C=CCCC1
InChIInChI=1S/C7H9F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2/t6-/m0/s1
InChIKeyHYPOCFHENIOPJG-LURJTMIESA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trifluoromethyl 4h thiopyran
CID 129814158
6-Fluoro-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85973980
3-Methylsulfanylcyclohexene
CID 13244647
4-Methylthiocyclohexene
CID 21311746
(3R,4R)-3-fluoro-4-methylsulfanylcyclohexene
CID 15131262
(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene
CID 15131263
6-(Trifluoromethylsulfanyl)hex-1-ene
CID 125473360
1-Trifluoromethylthio-1-cyclohexene
CID 132520444
1-(Trifluoromethylsulfanyl)hept-3-ene
CID 141487420
1-(Trifluoromethylsulfanyl)non-4-ene
CID 141487431
11-(Trifluoromethylsulfanyl)undec-5-ene
CID 141487433
10-(Trifluoromethylsulfanyl)dec-4-ene
CID 141487434

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trifluoromethylsulfanyl)cyclohexene?
The IUPAC name of (3R)-3-(trifluoromethylsulfanyl)cyclohexene (CID 125469933) is (3R)-3-(trifluoromethylsulfanyl)cyclohexene.
What is the SMILES notation for (3R)-3-(trifluoromethylsulfanyl)cyclohexene?
The canonical SMILES for (3R)-3-(trifluoromethylsulfanyl)cyclohexene is FC(F)(F)S[C@H]1C=CCCC1.
What is the InChIKey of (3R)-3-(trifluoromethylsulfanyl)cyclohexene?
The InChIKey is HYPOCFHENIOPJG-LURJTMIESA-N. The full InChI is InChI=1S/C7H9F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2/t6-/m0/s1.
What are the key properties of (3R)-3-(trifluoromethylsulfanyl)cyclohexene?
(3R)-3-(trifluoromethylsulfanyl)cyclohexene has a molecular weight of 182.21 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trifluoromethylsulfanyl)cyclohexene is sourced from PubChem (CID 125469933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).