1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane

C11H19FO — CID 10442437

IUPAC1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)(F)C(OC)C1
InChIInChI=1S/C11H19FO/c1-8(2)9-5-6-11(3,12)10(7-9)13-4/h9-10H,1,5-7H2,2-4H3
InChIKeyHNHYLQUEJBAITP-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.11
Rot. Bonds2

About 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane

1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane (PubChem CID 10442437) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
PubChem CID10442437
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)(F)C(OC)C1
InChIInChI=1S/C11H19FO/c1-8(2)9-5-6-11(3,12)10(7-9)13-4/h9-10H,1,5-7H2,2-4H3
InChIKeyHNHYLQUEJBAITP-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.11
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-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane (CID 10442437) is 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C)(F)C(OC)C1.
What is the InChIKey of 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
The InChIKey is HNHYLQUEJBAITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-8(2)9-5-6-11(3,12)10(7-9)13-4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane has a molecular weight of 186.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 10442437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).