trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane

C10H19F3S — CID 146656953

IUPACtrimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane
SMILESCS(C)(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3S/c1-14(2,3)9-6-4-8(5-7-9)10(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyUXOASOALRVCGBK-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.80
Rot. Bonds1

About trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane

trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane (PubChem CID 146656953) has the molecular formula C10H19F3S and a molecular weight of 228.32 g/mol. Its IUPAC name is trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane
PubChem CID146656953
Molecular FormulaC10H19F3S
Molecular Weight228.32 g/mol
Exact Mass228.12
IUPAC Nametrimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane
SMILESCS(C)(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H19F3S/c1-14(2,3)9-6-4-8(5-7-9)10(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyUXOASOALRVCGBK-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane?
The IUPAC name of trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane (CID 146656953) is trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane is CS(C)(C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane?
The InChIKey is UXOASOALRVCGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3S/c1-14(2,3)9-6-4-8(5-7-9)10(11,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane?
trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane has a molecular weight of 228.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(trifluoromethyl)cyclohexyl]-λ4-sulfane is sourced from PubChem (CID 146656953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).