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'}

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Related Compounds

cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
(2-fluorocyclohexyl) methyl sulfite
CID 87155182
(2R)-1-ethoxy-2-fluorocyclododecane
CID 177416106
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
1,3,5-tris(ethenoxy)cyclohexane
CID 23397705
(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane
CID 102071717
tert-butyl (3S,4S)-4-ethenoxy-3-fluoropiperidine-1-carboxylate
CID 156538377
3-ethenoxyoxolan-2-ol
CID 163837576
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
[(1S,2S)-2-fluorocycloheptyl] 2-chloroacetate
CID 102243983
trans-(1S,2S)-2-fluorocyclododecan-1-ol
CID 23237008

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).