4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane

C13H23F3O — CID 134170811

IUPAC4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane
SMILESCOC1(C(F)(F)F)CCC(CC(C)(C)C)CC1
InChIInChI=1S/C13H23F3O/c1-11(2,3)9-10-5-7-12(17-4,8-6-10)13(14,15)16/h10H,5-9H2,1-4H3
InChIKeyNMDBHLCWCJTZFS-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.56
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane

4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane (PubChem CID 134170811) has the molecular formula C13H23F3O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane
PubChem CID134170811
Molecular FormulaC13H23F3O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane
SMILESCOC1(C(F)(F)F)CCC(CC(C)(C)C)CC1
InChIInChI=1S/C13H23F3O/c1-11(2,3)9-10-5-7-12(17-4,8-6-10)13(14,15)16/h10H,5-9H2,1-4H3
InChIKeyNMDBHLCWCJTZFS-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)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 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane (CID 134170811) is 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane is COC1(C(F)(F)F)CCC(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
The InChIKey is NMDBHLCWCJTZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O/c1-11(2,3)9-10-5-7-12(17-4,8-6-10)13(14,15)16/h10H,5-9H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane has a molecular weight of 252.32 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methoxy-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 134170811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).