(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane

C12H17F5O2 — CID 15651931

IUPAC(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCCO[C@]1(C(F)(F)C(F)(F)F)O[C@@H]1C1CCCCC1
InChIInChI=1S/C12H17F5O2/c1-2-18-10(11(13,14)12(15,16)17)9(19-10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyREMNRBUFDGHLCW-ZJUUUORDSA-N
MW288.26 g/mol
LogP3.90
Rot. Bonds4

About (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane

(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 15651931) has the molecular formula C12H17F5O2 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID15651931
Molecular FormulaC12H17F5O2
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Name(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCCO[C@]1(C(F)(F)C(F)(F)F)O[C@@H]1C1CCCCC1
InChIInChI=1S/C12H17F5O2/c1-2-18-10(11(13,14)12(15,16)17)9(19-10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyREMNRBUFDGHLCW-ZJUUUORDSA-N
XLogP3.90
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'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
Fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 91230957
2-(4,4-Difluorocyclohexyl)-3-ethoxyoxirane
CID 148718017
2-(1,1,1,4,4,4-hexafluorobutan-2-yloxy)-3-[(4S)-4-methylhexan-2-yl]oxirane
CID 163719965
2-(Cyclohexylmethyl)-3-ethoxyoxirane
CID 15373952
(2R,3S)-3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane
CID 10467375
3-(Cyclohexylmethyl)-2-(trifluoromethyl)-2-ethoxyoxirane
CID 10890386
(2S,3R)-3-(cyclohexylmethyl)-2-ethoxy-2-(trifluoromethyl)oxirane
CID 15651922
(2S,3R)-3-(cyclohexylmethyl)-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 15651925
(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,3,3,3-heptafluoropropyl)oxirane
CID 15651933

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The IUPAC name of (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 15651931) is (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane is CCO[C@]1(C(F)(F)C(F)(F)F)O[C@@H]1C1CCCCC1.
What is the InChIKey of (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is REMNRBUFDGHLCW-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H17F5O2/c1-2-18-10(11(13,14)12(15,16)17)9(19-10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 288.26 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane is sourced from PubChem (CID 15651931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).