1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane

C10H17F3S — CID 86236761

IUPAC1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane
SMILESCC(C)C1CCC(SC(F)(F)F)CC1
InChIInChI=1S/C10H17F3S/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyJOABXHZYLZMSCJ-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.45
Rot. Bonds2

About 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane

1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane (PubChem CID 86236761) has the molecular formula C10H17F3S and a molecular weight of 226.31 g/mol. Its IUPAC name is 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane.

Molecular Properties

Compound Name1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane
PubChem CID86236761
Molecular FormulaC10H17F3S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane
SMILESCC(C)C1CCC(SC(F)(F)F)CC1
InChIInChI=1S/C10H17F3S/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyJOABXHZYLZMSCJ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane?
The IUPAC name of 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane (CID 86236761) is 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane.
What is the SMILES notation for 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane?
The canonical SMILES for 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane is CC(C)C1CCC(SC(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane?
The InChIKey is JOABXHZYLZMSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3S/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane?
1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane has a molecular weight of 226.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane is sourced from PubChem (CID 86236761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).