2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane

C10H16F2O2 — CID 148718017

IUPAC2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane
SMILESCCOC1OC1C1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O2/c1-2-13-9-8(14-9)7-3-5-10(11,12)6-4-7/h7-9H,2-6H2,1H3
InChIKeyNYMYYHBMIXWUDU-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.57
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane

2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane (PubChem CID 148718017) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane
PubChem CID148718017
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane
SMILESCCOC1OC1C1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O2/c1-2-13-9-8(14-9)7-3-5-10(11,12)6-4-7/h7-9H,2-6H2,1H3
InChIKeyNYMYYHBMIXWUDU-UHFFFAOYSA-N
XLogP2.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.57
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

[1,1,1,3,3,3-Hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 20743920
2-Ethoxy-3-[3-fluoro-4-[2-methoxy-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]oxirane
CID 156260016
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,4S,5S)-2-cyclohexyl-4-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12142520
(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-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 15651931
(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,3,3,3-heptafluoropropyl)oxirane
CID 15651933
2-(4-Methylcyclohexyl)oxy-3-propyloxirane
CID 90826316

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane (CID 148718017) is 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane is CCOC1OC1C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane?
The InChIKey is NYMYYHBMIXWUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-2-13-9-8(14-9)7-3-5-10(11,12)6-4-7/h7-9H,2-6H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane?
2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane has a molecular weight of 206.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-3-ethoxyoxirane is sourced from PubChem (CID 148718017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).