trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane

C9H15F3OSe — CID 138974150

IUPACtrans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane
SMILESCCO[C@H]1CCCC[C@@H]1[Se]C(F)(F)F
InChIInChI=1S/C9H15F3OSe/c1-2-13-7-5-3-4-6-8(7)14-9(10,11)12/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyUJIPCZOJSUQVLS-YUMQZZPRSA-N
MW275.17 g/mol
LogP2.98
Rot. Bonds3

About trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane

trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane (PubChem CID 138974150) has the molecular formula C9H15F3OSe and a molecular weight of 275.17 g/mol. Its IUPAC name is trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane
PubChem CID138974150
Molecular FormulaC9H15F3OSe
Molecular Weight275.17 g/mol
Exact Mass276.02
IUPAC Nametrans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane
SMILESCCO[C@H]1CCCC[C@@H]1[Se]C(F)(F)F
InChIInChI=1S/C9H15F3OSe/c1-2-13-7-5-3-4-6-8(7)14-9(10,11)12/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyUJIPCZOJSUQVLS-YUMQZZPRSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane 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

Cyclohexane, (1,1,2,2-tetrafluoroethoxy)-
CID 120674
2,2,2-Trifluoroethoxycyclohexane
CID 15806350
2,2,3,3-Tetrafluoropropyloxycyclohexane
CID 24854146
2,2,3,3,4,4,5,5-Octafluoropentoxycyclohexane
CID 129766523
1,1-Difluoro-2-methoxycyclohexane
CID 14092089
1,1,1,3,3,3-Hexafluoropropan-2-yloxycyclohexane
CID 21638553
1,1,2,2,2-Pentafluoroethoxycyclohexane
CID 53936137
1,2,2,3,3,3-Hexafluoropropoxycyclohexane
CID 54233939
1,1-Difluoro-4-methoxycyclohexane
CID 57974242
1,1-Difluoro-2-propan-2-yloxycyclohexane
CID 58303690
1,1-Difluoro-3-methoxycyclohexane
CID 58335293
1-(1,1-Difluorobutoxy)-4-fluorocyclohexane
CID 58725487

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane?
The IUPAC name of trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane (CID 138974150) is trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane.
What is the SMILES notation for trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane?
The canonical SMILES for trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane is CCO[C@H]1CCCC[C@@H]1[Se]C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane?
The InChIKey is UJIPCZOJSUQVLS-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15F3OSe/c1-2-13-7-5-3-4-6-8(7)14-9(10,11)12/h7-8H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane?
trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane has a molecular weight of 275.17 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-ethoxy-2-(trifluoromethylselanyl)cyclohexane is sourced from PubChem (CID 138974150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).