ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

C10H15F3O — CID 144598110

IUPACethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC.CC1=CC(C(F)(F)F)=C(O)CC1
InChIInChI=1S/C8H9F3O.C2H6/c1-5-2-3-7(12)6(4-5)8(9,10)11;1-2/h4,12H,2-3H2,1H3;1-2H3
InChIKeyBSHSZEJCRMYUOZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP4.13
Rot. Bonds

About ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 144598110) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID144598110
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Nameethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC.CC1=CC(C(F)(F)F)=C(O)CC1
InChIInChI=1S/C8H9F3O.C2H6/c1-5-2-3-7(12)6(4-5)8(9,10)11;1-2/h4,12H,2-3H2,1H3;1-2H3
InChIKeyBSHSZEJCRMYUOZ-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol 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 ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 144598110) is ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is CC.CC1=CC(C(F)(F)F)=C(O)CC1.
What is the InChIKey of ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is BSHSZEJCRMYUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O.C2H6/c1-5-2-3-7(12)6(4-5)8(9,10)11;1-2/h4,12H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 208.22 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 144598110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).