1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane

C12H21FO2 — CID 59872809

IUPAC1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCCF)CC1
InChIInChI=1S/C12H21FO2/c1-2-14-9-11-3-5-12(6-4-11)10-15-8-7-13/h2,11-12H,1,3-10H2
InChIKeyBOAQVXXXPXJGGZ-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.94
Rot. Bonds7

About 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane (PubChem CID 59872809) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
PubChem CID59872809
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Name1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCCF)CC1
InChIInChI=1S/C12H21FO2/c1-2-14-9-11-3-5-12(6-4-11)10-15-8-7-13/h2,11-12H,1,3-10H2
InChIKeyBOAQVXXXPXJGGZ-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexane, 1,4-bis[(ethenyloxy)methyl]-
CID 3437285
[(Ethenyloxy)methyl]cyclohexane
CID 15731377
1,1,2,3,3,3-Hexafluoro-1-{[4 (vinyloxymethyl)cyclohexyl]methoxy}propane
CID 18364359
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-(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
1-(Ethoxymethyl)-1-fluoro-4-methylcyclohexane
CID 58943136
1-[(2-Chloro-2-fluoroethoxy)methyl]-4-(ethenoxymethyl)cyclohexane
CID 60117540
1-Fluoroethenoxymethylcyclohexane
CID 68559613

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane (CID 59872809) is 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane is C=COCC1CCC(COCCF)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
The InChIKey is BOAQVXXXPXJGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO2/c1-2-14-9-11-3-5-12(6-4-11)10-15-8-7-13/h2,11-12H,1,3-10H2.
What are the key properties of 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane has a molecular weight of 216.30 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane is sourced from PubChem (CID 59872809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).