1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane

C13H18F6O2 — CID 18364359

IUPAC1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(F)(F)C(F)C(F)(F)F)CC1
InChIInChI=1S/C13H18F6O2/c1-2-20-7-9-3-5-10(6-4-9)8-21-13(18,19)11(14)12(15,16)17/h2,9-11H,1,3-8H2
InChIKeyNPOJIEYPMGCJDF-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.46
Rot. Bonds7

About 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane (PubChem CID 18364359) has the molecular formula C13H18F6O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane
PubChem CID18364359
Molecular FormulaC13H18F6O2
Molecular Weight320.27 g/mol
Exact Mass320.12
IUPAC Name1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(F)(F)C(F)C(F)(F)F)CC1
InChIInChI=1S/C13H18F6O2/c1-2-20-7-9-3-5-10(6-4-9)8-21-13(18,19)11(14)12(15,16)17/h2,9-11H,1,3-8H2
InChIKeyNPOJIEYPMGCJDF-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Cyclohexane, 1,4-bis[(ethenyloxy)methyl]-
CID 3437285
1-[2-(4-Ethenoxybutoxy)-1,1,2,2-tetrafluoroethyl]-4-(2,2,2-trifluoroethyl)cyclohexane
CID 12010749
1-[(2-Chloro-1,1,2-trifluoroethoxy)methyl]-4-(ethenoxymethyl)cyclohexane
CID 12010756
1-(Ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
CID 20593743
[4-(Ethenoxymethyl)cyclohexyl]methyl hypofluorite
CID 20688046
1-(Ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
CID 20697784
1-(Ethenoxymethyl)-4-[[8-[[4-(ethenoxymethyl)cyclohexyl]methoxy]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy]methyl]cyclohexane
CID 20730496
1-(Ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
CID 20730497
2-Chloro-1,1,2-trifluoro-1-{[4-(vinyloxymethyl)cyclohexyl]methoxy}propane
CID 22715202
1-(2-Ethenoxyethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane
CID 53784864
[2,2-Difluoroethenoxy(difluoro)methyl]cyclohexane
CID 59773666
1-(Ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
CID 59872809

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane (CID 18364359) is 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane is C=COCC1CCC(COC(F)(F)C(F)C(F)(F)F)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane?
The InChIKey is NPOJIEYPMGCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O2/c1-2-20-7-9-3-5-10(6-4-9)8-21-13(18,19)11(14)12(15,16)17/h2,9-11H,1,3-8H2.
What are the key properties of 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane has a molecular weight of 320.27 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane is sourced from PubChem (CID 18364359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).