1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane

C14H25F — CID 166855609

IUPAC1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane
SMILESC=C1CC(C)(CC)CC(CC)(CCF)C1
InChIInChI=1S/C14H25F/c1-5-13(4)9-12(3)10-14(6-2,11-13)7-8-15/h3,5-11H2,1-2,4H3
InChIKeyOMZQLWAVGJCUIN-UHFFFAOYSA-N
MW212.35 g/mol
LogP4.90
Rot. Bonds4

About 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane

1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane (PubChem CID 166855609) has the molecular formula C14H25F and a molecular weight of 212.35 g/mol. Its IUPAC name is 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane.

Molecular Properties

Compound Name1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane
PubChem CID166855609
Molecular FormulaC14H25F
Molecular Weight212.35 g/mol
Exact Mass212.19
IUPAC Name1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane
SMILESC=C1CC(C)(CC)CC(CC)(CCF)C1
InChIInChI=1S/C14H25F/c1-5-13(4)9-12(3)10-14(6-2,11-13)7-8-15/h3,5-11H2,1-2,4H3
InChIKeyOMZQLWAVGJCUIN-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane?
The IUPAC name of 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane (CID 166855609) is 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane.
What is the SMILES notation for 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane?
The canonical SMILES for 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane is C=C1CC(C)(CC)CC(CC)(CCF)C1.
What is the InChIKey of 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane?
The InChIKey is OMZQLWAVGJCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F/c1-5-13(4)9-12(3)10-14(6-2,11-13)7-8-15/h3,5-11H2,1-2,4H3.
What are the key properties of 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane?
1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane has a molecular weight of 212.35 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-(2-fluoroethyl)-3-methyl-5-methylidenecyclohexane is sourced from PubChem (CID 166855609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).