1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane

C15H24F6O — CID 118217404

IUPAC1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane
SMILESCC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H24F6O/c1-10(11-8-6-5-7-9-11)22-13(12(2,3)4,14(16,17)18)15(19,20)21/h10-11H,5-9H2,1-4H3
InChIKeyKBVLVDRIOJHGMM-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.88
Rot. Bonds3

About 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane

1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane (PubChem CID 118217404) has the molecular formula C15H24F6O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane.

Molecular Properties

Compound Name1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane
PubChem CID118217404
Molecular FormulaC15H24F6O
Molecular Weight334.34 g/mol
Exact Mass334.17
IUPAC Name1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane
SMILESCC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H24F6O/c1-10(11-8-6-5-7-9-11)22-13(12(2,3)4,14(16,17)18)15(19,20)21/h10-11H,5-9H2,1-4H3
InChIKeyKBVLVDRIOJHGMM-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane 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-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane?
The IUPAC name of 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane (CID 118217404) is 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane.
What is the SMILES notation for 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane?
The canonical SMILES for 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane is CC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane?
The InChIKey is KBVLVDRIOJHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O/c1-10(11-8-6-5-7-9-11)22-13(12(2,3)4,14(16,17)18)15(19,20)21/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane?
1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane has a molecular weight of 334.34 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane is sourced from PubChem (CID 118217404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).