2-ethenyl-1-fluoro-1-methoxycyclohexane

C9H15FO — CID 150439325

IUPAC2-ethenyl-1-fluoro-1-methoxycyclohexane
SMILESC=CC1CCCCC1(F)OC
InChIInChI=1S/C9H15FO/c1-3-8-6-4-5-7-9(8,10)11-2/h3,8H,1,4-7H2,2H3
InChIKeyHLLAFQGXROKYNU-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.67
Rot. Bonds2

About 2-ethenyl-1-fluoro-1-methoxycyclohexane

2-ethenyl-1-fluoro-1-methoxycyclohexane (PubChem CID 150439325) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-ethenyl-1-fluoro-1-methoxycyclohexane.

Molecular Properties

Compound Name2-ethenyl-1-fluoro-1-methoxycyclohexane
PubChem CID150439325
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name2-ethenyl-1-fluoro-1-methoxycyclohexane
SMILESC=CC1CCCCC1(F)OC
InChIInChI=1S/C9H15FO/c1-3-8-6-4-5-7-9(8,10)11-2/h3,8H,1,4-7H2,2H3
InChIKeyHLLAFQGXROKYNU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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 2-ethenyl-1-fluoro-1-methoxycyclohexane?
The IUPAC name of 2-ethenyl-1-fluoro-1-methoxycyclohexane (CID 150439325) is 2-ethenyl-1-fluoro-1-methoxycyclohexane.
What is the SMILES notation for 2-ethenyl-1-fluoro-1-methoxycyclohexane?
The canonical SMILES for 2-ethenyl-1-fluoro-1-methoxycyclohexane is C=CC1CCCCC1(F)OC.
What is the InChIKey of 2-ethenyl-1-fluoro-1-methoxycyclohexane?
The InChIKey is HLLAFQGXROKYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-8-6-4-5-7-9(8,10)11-2/h3,8H,1,4-7H2,2H3.
What are the key properties of 2-ethenyl-1-fluoro-1-methoxycyclohexane?
2-ethenyl-1-fluoro-1-methoxycyclohexane has a molecular weight of 158.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-fluoro-1-methoxycyclohexane is sourced from PubChem (CID 150439325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).