1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane

C8H11F3S — CID 91382062

IUPAC1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane
SMILESC=C1CCCC(SC(F)(F)F)C1
InChIInChI=1S/C8H11F3S/c1-6-3-2-4-7(5-6)12-8(9,10)11/h7H,1-5H2
InChIKeyNBFWOILJHSUIRT-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.74
Rot. Bonds1

About 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane

1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane (PubChem CID 91382062) has the molecular formula C8H11F3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane
PubChem CID91382062
Molecular FormulaC8H11F3S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane
SMILESC=C1CCCC(SC(F)(F)F)C1
InChIInChI=1S/C8H11F3S/c1-6-3-2-4-7(5-6)12-8(9,10)11/h7H,1-5H2
InChIKeyNBFWOILJHSUIRT-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.74
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

1-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
1,1-Difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
CID 58962885
2-Fluoro-4-methylidene-1-methylsulfanylcyclohexane
CID 90707277
1-Methylidene-4-(trifluoromethylsulfinyl)cyclohexane
CID 90896547
1-(Fluoromethylsulfanyl)-4-methylidenecyclohexane
CID 90970381
1-Ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
CID 91498764
1-Methylidene-4-(trifluoromethylsulfanyl)cyclohexane
CID 91550803
1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane
CID 146174705
3-(Trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
CID 125475426
1-Methylidene-4-methylsulfanylcyclohexane
CID 90711684
1-Methylidene-3-methylsulfanylcyclohexane
CID 91418356

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane?
The IUPAC name of 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane (CID 91382062) is 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane.
What is the SMILES notation for 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane?
The canonical SMILES for 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane is C=C1CCCC(SC(F)(F)F)C1.
What is the InChIKey of 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane?
The InChIKey is NBFWOILJHSUIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3S/c1-6-3-2-4-7(5-6)12-8(9,10)11/h7H,1-5H2.
What are the key properties of 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane?
1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane has a molecular weight of 196.24 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-(trifluoromethylsulfanyl)cyclohexane is sourced from PubChem (CID 91382062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).