2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane

C10H17FO2 — CID 91444583

IUPAC2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OCCOC)C(F)C1
InChIInChI=1S/C10H17FO2/c1-8-3-4-10(9(11)7-8)13-6-5-12-2/h9-10H,1,3-7H2,2H3
InChIKeyZASJRXAJUYHNKU-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.10
Rot. Bonds4

About 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane

2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane (PubChem CID 91444583) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane.

Molecular Properties

Compound Name2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane
PubChem CID91444583
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OCCOC)C(F)C1
InChIInChI=1S/C10H17FO2/c1-8-3-4-10(9(11)7-8)13-6-5-12-2/h9-10H,1,3-7H2,2H3
InChIKeyZASJRXAJUYHNKU-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane?
The IUPAC name of 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane (CID 91444583) is 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane.
What is the SMILES notation for 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane?
The canonical SMILES for 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane is C=C1CCC(OCCOC)C(F)C1.
What is the InChIKey of 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane?
The InChIKey is ZASJRXAJUYHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-8-3-4-10(9(11)7-8)13-6-5-12-2/h9-10H,1,3-7H2,2H3.
What are the key properties of 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane?
2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane has a molecular weight of 188.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane is sourced from PubChem (CID 91444583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).