1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane

C10H17FO — CID 59498836

IUPAC1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(F)(COCC)CC1
InChIInChI=1S/C10H17FO/c1-3-12-8-10(11)6-4-9(2)5-7-10/h2-8H2,1H3
InChIKeyVLGZPAIDFLAXTG-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.86
Rot. Bonds3

About 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane

1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane (PubChem CID 59498836) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane
PubChem CID59498836
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(F)(COCC)CC1
InChIInChI=1S/C10H17FO/c1-3-12-8-10(11)6-4-9(2)5-7-10/h2-8H2,1H3
InChIKeyVLGZPAIDFLAXTG-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane?
The IUPAC name of 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane (CID 59498836) is 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane.
What is the SMILES notation for 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane?
The canonical SMILES for 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane is C=C1CCC(F)(COCC)CC1.
What is the InChIKey of 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane?
The InChIKey is VLGZPAIDFLAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-3-12-8-10(11)6-4-9(2)5-7-10/h2-8H2,1H3.
What are the key properties of 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane?
1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane has a molecular weight of 172.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-fluoro-4-methylidenecyclohexane is sourced from PubChem (CID 59498836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).