1-ethenyl-4-(fluoromethoxy)cyclohexane

C9H15FO — CID 122534241

IUPAC1-ethenyl-4-(fluoromethoxy)cyclohexane
SMILESC=CC1CCC(OCF)CC1
InChIInChI=1S/C9H15FO/c1-2-8-3-5-9(6-4-8)11-7-10/h2,8-9H,1,3-7H2
InChIKeyAYKPXEPLRRHDIC-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.67
Rot. Bonds3

About 1-ethenyl-4-(fluoromethoxy)cyclohexane

1-ethenyl-4-(fluoromethoxy)cyclohexane (PubChem CID 122534241) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-ethenyl-4-(fluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-(fluoromethoxy)cyclohexane
PubChem CID122534241
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name1-ethenyl-4-(fluoromethoxy)cyclohexane
SMILESC=CC1CCC(OCF)CC1
InChIInChI=1S/C9H15FO/c1-2-8-3-5-9(6-4-8)11-7-10/h2,8-9H,1,3-7H2
InChIKeyAYKPXEPLRRHDIC-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.67
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-ethenyl-4-(fluoromethoxy)cyclohexane?
The IUPAC name of 1-ethenyl-4-(fluoromethoxy)cyclohexane (CID 122534241) is 1-ethenyl-4-(fluoromethoxy)cyclohexane.
What is the SMILES notation for 1-ethenyl-4-(fluoromethoxy)cyclohexane?
The canonical SMILES for 1-ethenyl-4-(fluoromethoxy)cyclohexane is C=CC1CCC(OCF)CC1.
What is the InChIKey of 1-ethenyl-4-(fluoromethoxy)cyclohexane?
The InChIKey is AYKPXEPLRRHDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-2-8-3-5-9(6-4-8)11-7-10/h2,8-9H,1,3-7H2.
What are the key properties of 1-ethenyl-4-(fluoromethoxy)cyclohexane?
1-ethenyl-4-(fluoromethoxy)cyclohexane has a molecular weight of 158.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(fluoromethoxy)cyclohexane is sourced from PubChem (CID 122534241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).