cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane

C8H13FO — CID 174098195

IUPACcis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane
SMILESC=CO[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C8H13FO/c1-2-10-8-6-4-3-5-7(8)9/h2,7-8H,1,3-6H2/t7-,8+/m0/s1
InChIKeyMAQHWONPLLBCKZ-JGVFFNPUSA-N
MW144.19 g/mol
LogP2.43
Rot. Bonds2

About cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane

cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane (PubChem CID 174098195) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane.

Molecular Properties

Compound Namecis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane
PubChem CID174098195
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namecis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane
SMILESC=CO[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C8H13FO/c1-2-10-8-6-4-3-5-7(8)9/h2,7-8H,1,3-6H2/t7-,8+/m0/s1
InChIKeyMAQHWONPLLBCKZ-JGVFFNPUSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane?
The IUPAC name of cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane (CID 174098195) is cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane.
What is the SMILES notation for cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane?
The canonical SMILES for cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane is C=CO[C@@H]1CCCC[C@@H]1F.
What is the InChIKey of cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane?
The InChIKey is MAQHWONPLLBCKZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13FO/c1-2-10-8-6-4-3-5-7(8)9/h2,7-8H,1,3-6H2/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane?
cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane has a molecular weight of 144.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane is sourced from PubChem (CID 174098195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).