[5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol

C9H13F3O2 — CID 90880637

IUPAC[5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol
SMILESC=C1CCC(OC(F)(F)F)C(CO)C1
InChIInChI=1S/C9H13F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h7-8,13H,1-5H2
InChIKeyOZETWCSBRRCXAK-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.24
Rot. Bonds2

About [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol

[5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol (PubChem CID 90880637) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol
PubChem CID90880637
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name[5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol
SMILESC=C1CCC(OC(F)(F)F)C(CO)C1
InChIInChI=1S/C9H13F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h7-8,13H,1-5H2
InChIKeyOZETWCSBRRCXAK-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol 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 [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol?
The IUPAC name of [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol (CID 90880637) is [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol.
What is the SMILES notation for [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol?
The canonical SMILES for [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol is C=C1CCC(OC(F)(F)F)C(CO)C1.
What is the InChIKey of [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol?
The InChIKey is OZETWCSBRRCXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h7-8,13H,1-5H2.
What are the key properties of [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol?
[5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol has a molecular weight of 210.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methylidene-2-(trifluoromethoxy)cyclohexyl]methanol is sourced from PubChem (CID 90880637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).