3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane

C12H19F3O2 — CID 10890386

IUPAC3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane
SMILESCCOC1(C(F)(F)F)OC1CC1CCCCC1
InChIInChI=1S/C12H19F3O2/c1-2-16-11(12(13,14)15)10(17-11)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyHOPVNFUJWHTLGL-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.65
Rot. Bonds4

About 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane

3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane (PubChem CID 10890386) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane
PubChem CID10890386
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane
SMILESCCOC1(C(F)(F)F)OC1CC1CCCCC1
InChIInChI=1S/C12H19F3O2/c1-2-16-11(12(13,14)15)10(17-11)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyHOPVNFUJWHTLGL-UHFFFAOYSA-N
XLogP3.65
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[Cyclohexyl(difluoro)methoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 176426585
2-Cyclohexyl-3-fluoro-2-(trifluoromethoxy)oxirane
CID 21730842
[1,1,1,3,3,3-Hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 20743920
8-(4,4,4-Trifluorobutyl)-1,4-dioxaspiro[4.5]decane
CID 53252711
7,9-Difluoro-8-propyl-1,4-dioxaspiro[4.5]decane
CID 54213035
(4S)-4-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958788
(4S)-4-[(1R,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958789
(4S)-4-[(1S,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958791
(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958795
2-Dodecan-3-yl-2-(7-fluoroheptoxy)-3-methyloxirane
CID 118002486
2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane
CID 122448197
2-(4,4-Difluorocyclohexyl)-3-ethoxyoxirane
CID 148718017

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane?
The IUPAC name of 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane (CID 10890386) is 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane?
The canonical SMILES for 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane is CCOC1(C(F)(F)F)OC1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane?
The InChIKey is HOPVNFUJWHTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-2-16-11(12(13,14)15)10(17-11)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane?
3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane has a molecular weight of 252.28 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 10890386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).