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

C9H13F3O — CID 144650411

IUPACethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC.OC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3O.C2H6/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h1,3,11H,2,4H2;1-2H3
InChIKeyUPAJNGUQJSPKTE-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.74
Rot. Bonds

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

ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 144650411) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Nameethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID144650411
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Nameethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC.OC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3O.C2H6/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h1,3,11H,2,4H2;1-2H3
InChIKeyUPAJNGUQJSPKTE-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;4-(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-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 144650411) is ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is CC.OC1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is UPAJNGUQJSPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O.C2H6/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h1,3,11H,2,4H2;1-2H3.
What are the key properties of ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 194.20 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 144650411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).