3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane

C10H15F3S — CID 125475426

IUPAC3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
SMILESC=C(CSC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H15F3S/c1-8(7-14-10(11,12)13)9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyOZHJZBHBDIEKBV-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.38
Rot. Bonds3

About 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane

3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane (PubChem CID 125475426) has the molecular formula C10H15F3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
PubChem CID125475426
Molecular FormulaC10H15F3S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
SMILESC=C(CSC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H15F3S/c1-8(7-14-10(11,12)13)9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyOZHJZBHBDIEKBV-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.38
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

[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
CID 102346461
1-(Trifluoromethylsulfanyl)ethenylcyclohexane
CID 162411757
[(Z)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
CID 166441032
[2,2-Difluoro-3-(trifluoromethylsulfanyl)but-3-enyl]cyclohexane
CID 166441106
4-Methylidene-1-methylsulfanyl-2-(trifluoromethyl)cyclohexane
CID 90922567
1-Methylidene-3-(trifluoromethylsulfanyl)cyclohexane
CID 91382062
1-Methylidene-4-(trifluoromethylsulfanyl)cyclohexane
CID 91550803
1-Methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
CID 146817721
[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane
CID 155053623
2-(4-Methylidenecyclohexyl)thiirane
CID 102249115

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane?
The IUPAC name of 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane (CID 125475426) is 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane?
The canonical SMILES for 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane is C=C(CSC(F)(F)F)C1CCCCC1.
What is the InChIKey of 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane?
The InChIKey is OZHJZBHBDIEKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3S/c1-8(7-14-10(11,12)13)9-5-3-2-4-6-9/h9H,1-7H2.
What are the key properties of 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane?
3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane has a molecular weight of 224.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 125475426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).