2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane

C10H16F6S — CID 162585424

IUPAC2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane
SMILESCC(F)(F)CC(C)(CSC(F)(F)F)C(C)(C)F
InChIInChI=1S/C10H16F6S/c1-7(2,11)8(3,5-9(4,12)13)6-17-10(14,15)16/h5-6H2,1-4H3
InChIKeyXFRVRDLBUPAQSS-UHFFFAOYSA-N
MW282.29 g/mol
LogP5.04
Rot. Bonds5

About 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane

2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane (PubChem CID 162585424) has the molecular formula C10H16F6S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane.

Molecular Properties

Compound Name2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane
PubChem CID162585424
Molecular FormulaC10H16F6S
Molecular Weight282.29 g/mol
Exact Mass282.09
IUPAC Name2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane
SMILESCC(F)(F)CC(C)(CSC(F)(F)F)C(C)(C)F
InChIInChI=1S/C10H16F6S/c1-7(2,11)8(3,5-9(4,12)13)6-17-10(14,15)16/h5-6H2,1-4H3
InChIKeyXFRVRDLBUPAQSS-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.29
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane 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 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane?
The IUPAC name of 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane (CID 162585424) is 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane.
What is the SMILES notation for 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane?
The canonical SMILES for 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane is CC(F)(F)CC(C)(CSC(F)(F)F)C(C)(C)F.
What is the InChIKey of 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane?
The InChIKey is XFRVRDLBUPAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6S/c1-7(2,11)8(3,5-9(4,12)13)6-17-10(14,15)16/h5-6H2,1-4H3.
What are the key properties of 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane?
2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane has a molecular weight of 282.29 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trifluoro-2,3-dimethyl-3-(trifluoromethylsulfanylmethyl)hexane is sourced from PubChem (CID 162585424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).