1-ethoxy-2-fluoro-4-methylidenecyclohexane

C9H15FO — CID 91248539

IUPAC1-ethoxy-2-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(OCC)C(F)C1
InChIInChI=1S/C9H15FO/c1-3-11-9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyVQPXZBDCSXWPFU-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.47
Rot. Bonds2

About 1-ethoxy-2-fluoro-4-methylidenecyclohexane

1-ethoxy-2-fluoro-4-methylidenecyclohexane (PubChem CID 91248539) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-methylidenecyclohexane
PubChem CID91248539
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name1-ethoxy-2-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(OCC)C(F)C1
InChIInChI=1S/C9H15FO/c1-3-11-9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyVQPXZBDCSXWPFU-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.47
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-ethoxy-2-fluoro-4-methylidenecyclohexane?
The IUPAC name of 1-ethoxy-2-fluoro-4-methylidenecyclohexane (CID 91248539) is 1-ethoxy-2-fluoro-4-methylidenecyclohexane.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-methylidenecyclohexane?
The canonical SMILES for 1-ethoxy-2-fluoro-4-methylidenecyclohexane is C=C1CCC(OCC)C(F)C1.
What is the InChIKey of 1-ethoxy-2-fluoro-4-methylidenecyclohexane?
The InChIKey is VQPXZBDCSXWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-11-9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3.
What are the key properties of 1-ethoxy-2-fluoro-4-methylidenecyclohexane?
1-ethoxy-2-fluoro-4-methylidenecyclohexane has a molecular weight of 158.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-methylidenecyclohexane is sourced from PubChem (CID 91248539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).