1-fluoro-3-methoxy-5-methylidenecyclohexane

C8H13FO — CID 91244013

IUPAC1-fluoro-3-methoxy-5-methylidenecyclohexane
SMILESC=C1CC(F)CC(OC)C1
InChIInChI=1S/C8H13FO/c1-6-3-7(9)5-8(4-6)10-2/h7-8H,1,3-5H2,2H3
InChIKeyMVCGPHKZYSUHMO-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.08
Rot. Bonds1

About 1-fluoro-3-methoxy-5-methylidenecyclohexane

1-fluoro-3-methoxy-5-methylidenecyclohexane (PubChem CID 91244013) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-5-methylidenecyclohexane.

Molecular Properties

Compound Name1-fluoro-3-methoxy-5-methylidenecyclohexane
PubChem CID91244013
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name1-fluoro-3-methoxy-5-methylidenecyclohexane
SMILESC=C1CC(F)CC(OC)C1
InChIInChI=1S/C8H13FO/c1-6-3-7(9)5-8(4-6)10-2/h7-8H,1,3-5H2,2H3
InChIKeyMVCGPHKZYSUHMO-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.08
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-3-methoxy-5-methylidenecyclohexane?
The IUPAC name of 1-fluoro-3-methoxy-5-methylidenecyclohexane (CID 91244013) is 1-fluoro-3-methoxy-5-methylidenecyclohexane.
What is the SMILES notation for 1-fluoro-3-methoxy-5-methylidenecyclohexane?
The canonical SMILES for 1-fluoro-3-methoxy-5-methylidenecyclohexane is C=C1CC(F)CC(OC)C1.
What is the InChIKey of 1-fluoro-3-methoxy-5-methylidenecyclohexane?
The InChIKey is MVCGPHKZYSUHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-6-3-7(9)5-8(4-6)10-2/h7-8H,1,3-5H2,2H3.
What are the key properties of 1-fluoro-3-methoxy-5-methylidenecyclohexane?
1-fluoro-3-methoxy-5-methylidenecyclohexane has a molecular weight of 144.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-5-methylidenecyclohexane is sourced from PubChem (CID 91244013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).