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

C13H25FO2 — CID 91569292

IUPACethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCF)CC1.CC
InChIInChI=1S/C11H19FO2.C2H6/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12;1-2/h2,10-11H,1,3-9H2;1-2H3
InChIKeyHIDNWAOUGJUERY-UHFFFAOYSA-N
MW232.34 g/mol
LogP3.92
Rot. Bonds6

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

ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane (PubChem CID 91569292) has the molecular formula C13H25FO2 and a molecular weight of 232.34 g/mol. Its IUPAC name is ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane.

Molecular Properties

Compound Nameethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
PubChem CID91569292
Molecular FormulaC13H25FO2
Molecular Weight232.34 g/mol
Exact Mass232.18
IUPAC Nameethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCF)CC1.CC
InChIInChI=1S/C11H19FO2.C2H6/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12;1-2/h2,10-11H,1,3-9H2;1-2H3
InChIKeyHIDNWAOUGJUERY-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
The IUPAC name of ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane (CID 91569292) is ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane.
What is the SMILES notation for ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
The canonical SMILES for ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane is C=COCC1CCC(COCF)CC1.CC.
What is the InChIKey of ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
The InChIKey is HIDNWAOUGJUERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2.C2H6/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12;1-2/h2,10-11H,1,3-9H2;1-2H3.
What are the key properties of ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane?
ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane has a molecular weight of 232.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane is sourced from PubChem (CID 91569292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).