1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane

C11H19FO2 — CID 20593743

IUPAC1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCF)CC1
InChIInChI=1S/C11H19FO2/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2,10-11H,1,3-9H2
InChIKeyOYVAQDLENWBCDL-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.90
Rot. Bonds6

About 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane (PubChem CID 20593743) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
PubChem CID20593743
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCF)CC1
InChIInChI=1S/C11H19FO2/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2,10-11H,1,3-9H2
InChIKeyOYVAQDLENWBCDL-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.90
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
Cyclohexanemethanol, 4-[(ethenyloxy)methyl]-
CID 163934
[(Ethenyloxy)methyl]cyclohexane
CID 15731377
1,1,2,3,3,3-Hexafluoro-1-{[4 (vinyloxymethyl)cyclohexyl]methoxy}propane
CID 18364359
[4-(Ethenoxymethyl)cyclohexyl]methyl hypofluorite
CID 20688046
1-(Ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
CID 20697784
1-(Ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
CID 20730497
1-(2-Ethenoxyethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane
CID 53784864
1-(Ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
CID 59872809
1-Fluoro-1-(methoxymethyl)-4-methylcyclohexane
CID 59982528
1-Fluoroethenoxymethylcyclohexane
CID 68559613
4-(Ethenoxymethyl)-1,1-difluorocyclohexane
CID 68560348

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane (CID 20593743) is 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane is C=COCC1CCC(COCF)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
The InChIKey is OYVAQDLENWBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2,10-11H,1,3-9H2.
What are the key properties of 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane has a molecular weight of 202.27 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane is sourced from PubChem (CID 20593743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).