2-(1-fluorocyclohexyl)-1,4-dioxane

C10H17FO2 — CID 67745637

IUPAC2-(1-fluorocyclohexyl)-1,4-dioxane
SMILESFC1(C2COCCO2)CCCCC1
InChIInChI=1S/C10H17FO2/c11-10(4-2-1-3-5-10)9-8-12-6-7-13-9/h9H,1-8H2
InChIKeyBJYLAGGFAOLAJJ-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.07
Rot. Bonds1

About 2-(1-fluorocyclohexyl)-1,4-dioxane

2-(1-fluorocyclohexyl)-1,4-dioxane (PubChem CID 67745637) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-(1-fluorocyclohexyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(1-fluorocyclohexyl)-1,4-dioxane
PubChem CID67745637
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name2-(1-fluorocyclohexyl)-1,4-dioxane
SMILESFC1(C2COCCO2)CCCCC1
InChIInChI=1S/C10H17FO2/c11-10(4-2-1-3-5-10)9-8-12-6-7-13-9/h9H,1-8H2
InChIKeyBJYLAGGFAOLAJJ-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclohexyl)-1,4-dioxane?
The IUPAC name of 2-(1-fluorocyclohexyl)-1,4-dioxane (CID 67745637) is 2-(1-fluorocyclohexyl)-1,4-dioxane.
What is the SMILES notation for 2-(1-fluorocyclohexyl)-1,4-dioxane?
The canonical SMILES for 2-(1-fluorocyclohexyl)-1,4-dioxane is FC1(C2COCCO2)CCCCC1.
What is the InChIKey of 2-(1-fluorocyclohexyl)-1,4-dioxane?
The InChIKey is BJYLAGGFAOLAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c11-10(4-2-1-3-5-10)9-8-12-6-7-13-9/h9H,1-8H2.
What are the key properties of 2-(1-fluorocyclohexyl)-1,4-dioxane?
2-(1-fluorocyclohexyl)-1,4-dioxane has a molecular weight of 188.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclohexyl)-1,4-dioxane is sourced from PubChem (CID 67745637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).