2-cyclohexyloxy-2-(trifluoromethyl)oxirane

C9H13F3O2 — CID 134928456

IUPAC2-cyclohexyloxy-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(OC2CCCCC2)CO1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)8(6-13-8)14-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyVXNBGIWAOOVJTF-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.62
Rot. Bonds2

About 2-cyclohexyloxy-2-(trifluoromethyl)oxirane

2-cyclohexyloxy-2-(trifluoromethyl)oxirane (PubChem CID 134928456) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-cyclohexyloxy-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-cyclohexyloxy-2-(trifluoromethyl)oxirane
PubChem CID134928456
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-cyclohexyloxy-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(OC2CCCCC2)CO1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)8(6-13-8)14-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyVXNBGIWAOOVJTF-UHFFFAOYSA-N
XLogP2.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-cyclohexyloxy-2-(trifluoromethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 22225014
1,4-Dioxaspiro[4.5]decane, 8-(trifluoromethoxy)-
CID 59565503
3,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 117626918
(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 135374794
3-(Fluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 101198691
8-(2,2,2-Trifluoroethoxy)-1,4-dioxaspiro[4.5]decane
CID 104455424
CID 104455571
CID 104455571
7,7-Difluoro-1,4-dioxaspiro[4.5]decane
CID 130739109
7,8,8-Trifluoro-1,4-dioxaspiro[4.5]decane
CID 162568023
2-Cyclohexyloxy-2-methyloxirane
CID 89006811
2-Cyclohexyloxyoxirane
CID 140422300

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-cyclohexyloxy-2-(trifluoromethyl)oxirane (CID 134928456) is 2-cyclohexyloxy-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-cyclohexyloxy-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-cyclohexyloxy-2-(trifluoromethyl)oxirane is FC(F)(F)C1(OC2CCCCC2)CO1.
What is the InChIKey of 2-cyclohexyloxy-2-(trifluoromethyl)oxirane?
The InChIKey is VXNBGIWAOOVJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c10-9(11,12)8(6-13-8)14-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2-cyclohexyloxy-2-(trifluoromethyl)oxirane?
2-cyclohexyloxy-2-(trifluoromethyl)oxirane has a molecular weight of 210.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 134928456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).